1-(4-azanyl-1,2,5-oxadiazol-3-yl)-N-[(Z)-[(E)-4-(4-dimethylaminophenyl)but-3-en-2-ylidene]amino]-5-(phenylsulfanylmethyl)-1,2,3-triazole-4-carboxamide

Systemtic Name: 1-(4-azanyl-1,2,5-oxadiazol-3-yl)-N-[(Z)-[(E)-4-(4-dimethylaminophenyl)but-3-en-2-ylidene]amino]-5-(phenylsulfanylmethyl)-1,2,3-triazole-4-carboxamide Openeye Name: 1-(4-amino-1,2,5-oxadiazol-3-yl)-N-[(Z)-[(E)-3-(4-dimethylaminophenyl)-1-methyl-prop-2-enylidene]amino]-5-(phenylsulfanylmethyl)triazole-4-carboxamide CAS Name: 1-(4-amino-1,2,5-oxadiazol-3-yl)-N-[(Z)-[(E)-4-(4-dimethylaminophenyl)but-3-en-2-ylidene]amino]-5-[(phenylthio)methyl]-4-triazolecarboxamide IUPAC Name: 1-(4-amino-1,2,5-oxadiazol-3-yl)-N-[(Z)-[(E)-4-(4-dimethylaminophenyl)but-3-en-2-ylidene]amino]-5-(phenylsulfanylmethyl)triazole-4-carboxamide Traditional Name: 1-(4-aminofurazan-3-yl)-N-[(Z)-[(E)-3-(4-dimethylaminophenyl)-1-methyl-prop-2-enylidene]amino]-5-[(phenylthio)methyl]triazole-4-carboxamide Formula: C24H25N9O2S MolecularWeight: 503.5794

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(=NNC(=O)C1=C(N(N=N1)C2=NON=C2N)CSC3=CC=CC=C3)C=CC4=CC=C(C=C4)N(C)C

Isomeric SMILES

C/C(=N/NC(=O)C1=C(N(N=N1)C2=NON=C2N)CSC3=CC=CC=C3)/C=C/C4=CC=C(C=C4)N(C)C

InChI

InChI=1S/C24H25N9O2S/c1-16(9-10-17-11-13-18(14-12-17)32(2)3)26-28-24(34)21-20(15-36-19-7-5-4-6-8-19)33(31-27-21)23-22(25)29-35-30-23/h4-14H,15H2,1-3H3,(H2,25,29)(H,28,34)/b10-9+,26-16-