3-(4-phenyl-3-phenylazanyl-5-sulfanylidene-1,2,4-triazol-1-yl)propanenitrile

Systemtic Name: 3-(4-phenyl-3-phenylazanyl-5-sulfanylidene-1,2,4-triazol-1-yl)propanenitrile Openeye Name: 3-(3-anilino-4-phenyl-5-thioxo-1,2,4-triazol-1-yl)propanenitrile CAS Name: 3-(3-anilino-4-phenyl-5-sulfanylidene-1,2,4-triazol-1-yl)propanenitrile IUPAC Name: 3-(3-anilino-4-phenyl-5-sulfanylidene-1,2,4-triazol-1-yl)propanenitrile Traditional Name: 3-(3-anilino-4-phenyl-5-thioxo-1,2,4-triazol-1-yl)propionitrile Formula: C17H15N5S MolecularWeight: 321.3995

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)NC2=NN(C(=S)N2C3=CC=CC=C3)CCC#N

Isomeric SMILES

C1=CC=C(C=C1)NC2=NN(C(=S)N2C3=CC=CC=C3)CCC#N

InChI

InChI=1S/C17H15N5S/c18-12-7-13-21-17(23)22(15-10-5-2-6-11-15)16(20-21)19-14-8-3-1-4-9-14/h1-6,8-11H,7,13H2,(H,19,20)