4-[[5-(phenylmethylsulfanyl)-1,3,4-thiadiazol-2-yl]sulfanylmethyl]benzenecarbonitrile

Systemtic Name: 4-[[5-(phenylmethylsulfanyl)-1,3,4-thiadiazol-2-yl]sulfanylmethyl]benzenecarbonitrile Openeye Name: 4-[(5-benzylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanylmethyl]benzonitrile CAS Name: 4-[[[5-(phenylmethylthio)-1,3,4-thiadiazol-2-yl]thio]methyl]benzonitrile IUPAC Name: 4-[(5-benzylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanylmethyl]benzonitrile Traditional Name: 4-[[[5-(benzylthio)-1,3,4-thiadiazol-2-yl]thio]methyl]benzonitrile Formula: C17H13N3S3 MolecularWeight: 355.50022

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CSC2=NN=C(S2)SCC3=CC=C(C=C3)C#N

Isomeric SMILES

C1=CC=C(C=C1)CSC2=NN=C(S2)SCC3=CC=C(C=C3)C#N

InChI

InChI=1S/C17H13N3S3/c18-10-13-6-8-15(9-7-13)12-22-17-20-19-16(23-17)21-11-14-4-2-1-3-5-14/h1-9H,11-12H2