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

Systemtic Name: 4-[[5-[(3-methylphenyl)amino]-1,3,4-thiadiazol-2-yl]sulfanylmethyl]benzenecarbonitrile Openeye Name: 4-[[5-(3-methylanilino)-1,3,4-thiadiazol-2-yl]sulfanylmethyl]benzonitrile CAS Name: 4-[[[5-(3-methylanilino)-1,3,4-thiadiazol-2-yl]thio]methyl]benzonitrile IUPAC Name: 4-[[5-(3-methylanilino)-1,3,4-thiadiazol-2-yl]sulfanylmethyl]benzonitrile Traditional Name: 4-[[[5-(m-toluidino)-1,3,4-thiadiazol-2-yl]thio]methyl]benzonitrile Formula: C17H14N4S2 MolecularWeight: 338.44986

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)NC2=NN=C(S2)SCC3=CC=C(C=C3)C#N

Isomeric SMILES

CC1=CC(=CC=C1)NC2=NN=C(S2)SCC3=CC=C(C=C3)C#N

InChI

InChI=1S/C17H14N4S2/c1-12-3-2-4-15(9-12)19-16-20-21-17(23-16)22-11-14-7-5-13(10-18)6-8-14/h2-9H,11H2,1H3,(H,19,20)