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

Systemtic Name: 4-[[5-[(3-methoxyphenyl)amino]-1,3,4-thiadiazol-2-yl]sulfanylmethyl]benzenecarbonitrile Openeye Name: 4-[[5-(3-methoxyanilino)-1,3,4-thiadiazol-2-yl]sulfanylmethyl]benzonitrile CAS Name: 4-[[[5-(3-methoxyanilino)-1,3,4-thiadiazol-2-yl]thio]methyl]benzonitrile IUPAC Name: 4-[[5-(3-methoxyanilino)-1,3,4-thiadiazol-2-yl]sulfanylmethyl]benzonitrile Traditional Name: 4-[[[5-(m-anisidino)-1,3,4-thiadiazol-2-yl]thio]methyl]benzonitrile Formula: C17H14N4OS2 MolecularWeight: 354.44926

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1)NC2=NN=C(S2)SCC3=CC=C(C=C3)C#N

Isomeric SMILES

COC1=CC=CC(=C1)NC2=NN=C(S2)SCC3=CC=C(C=C3)C#N

InChI

InChI=1S/C17H14N4OS2/c1-22-15-4-2-3-14(9-15)19-16-20-21-17(24-16)23-11-13-7-5-12(10-18)6-8-13/h2-9H,11H2,1H3,(H,19,20)