3,4,5-triethoxy-N-[[3-methyl-5-(phenylmethylsulfanyl)-1,2,4-triazol-4-yl]carbamothioyl]benzamide

Systemtic Name: 3,4,5-triethoxy-N-[[3-methyl-5-(phenylmethylsulfanyl)-1,2,4-triazol-4-yl]carbamothioyl]benzamide Openeye Name: N-[(3-benzylsulfanyl-5-methyl-1,2,4-triazol-4-yl)carbamothioyl]-3,4,5-triethoxy-benzamide CAS Name: 3,4,5-triethoxy-N-[[[3-methyl-5-(phenylmethylthio)-1,2,4-triazol-4-yl]amino]-sulfanylidenemethyl]benzamide IUPAC Name: N-[(3-benzylsulfanyl-5-methyl-1,2,4-triazol-4-yl)carbamothioyl]-3,4,5-triethoxybenzamide Traditional Name: N-[[3-(benzylthio)-5-methyl-1,2,4-triazol-4-yl]thiocarbamoyl]-3,4,5-triethoxy-benzamide Formula: C24H29N5O4S2 MolecularWeight: 515.64816

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC(=CC(=C1OCC)OCC)C(=O)NC(=S)NN2C(=NN=C2SCC3=CC=CC=C3)C

Isomeric SMILES

CCOC1=CC(=CC(=C1OCC)OCC)C(=O)NC(=S)NN2C(=NN=C2SCC3=CC=CC=C3)C

InChI

InChI=1S/C24H29N5O4S2/c1-5-31-19-13-18(14-20(32-6-2)21(19)33-7-3)22(30)25-23(34)28-29-16(4)26-27-24(29)35-15-17-11-9-8-10-12-17/h8-14H,5-7,15H2,1-4H3,(H2,25,28,30,34)