3-(furan-2-yl)-N-[[3-methyl-5-(phenylmethylsulfanyl)-1,2,4-triazol-4-yl]carbamothioyl]prop-2-enamide

Systemtic Name: 3-(furan-2-yl)-N-[[3-methyl-5-(phenylmethylsulfanyl)-1,2,4-triazol-4-yl]carbamothioyl]prop-2-enamide Openeye Name: N-[(3-benzylsulfanyl-5-methyl-1,2,4-triazol-4-yl)carbamothioyl]-3-(2-furyl)prop-2-enamide CAS Name: 3-(2-furanyl)-N-[[[3-methyl-5-(phenylmethylthio)-1,2,4-triazol-4-yl]amino]-sulfanylidenemethyl]-2-propenamide IUPAC Name: N-[(3-benzylsulfanyl-5-methyl-1,2,4-triazol-4-yl)carbamothioyl]-3-(furan-2-yl)prop-2-enamide Traditional Name: N-[[3-(benzylthio)-5-methyl-1,2,4-triazol-4-yl]thiocarbamoyl]-3-(2-furyl)acrylamide Formula: C18H17N5O2S2 MolecularWeight: 399.48988

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=NN=C(N1NC(=S)NC(=O)C=CC2=CC=CO2)SCC3=CC=CC=C3

Isomeric SMILES

CC1=NN=C(N1NC(=S)NC(=O)C=CC2=CC=CO2)SCC3=CC=CC=C3

InChI

InChI=1S/C18H17N5O2S2/c1-13-20-21-18(27-12-14-6-3-2-4-7-14)23(13)22-17(26)19-16(24)10-9-15-8-5-11-25-15/h2-11H,12H2,1H3,(H2,19,22,24,26)