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

Systemtic Name: 4-[[5-[(3,4-dimethylphenyl)amino]-1,3,4-thiadiazol-2-yl]sulfanylmethyl]benzenecarbonitrile Openeye Name: 4-[[5-(3,4-dimethylanilino)-1,3,4-thiadiazol-2-yl]sulfanylmethyl]benzonitrile CAS Name: 4-[[[5-(3,4-dimethylanilino)-1,3,4-thiadiazol-2-yl]thio]methyl]benzonitrile IUPAC Name: 4-[[5-(3,4-dimethylanilino)-1,3,4-thiadiazol-2-yl]sulfanylmethyl]benzonitrile Traditional Name: 4-[[[5-(3,4-dimethylanilino)-1,3,4-thiadiazol-2-yl]thio]methyl]benzonitrile Formula: C18H16N4S2 MolecularWeight: 352.47644

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H16N4S2/c1-12-3-8-16(9-13(12)2)20-17-21-22-18(24-17)23-11-15-6-4-14(10-19)5-7-15/h3-9H,11H2,1-2H3,(H,20,21)