3-(3-propan-2-yl-5-sulfanylidene-1H-1,2,4-triazol-4-yl)benzenecarbonitrile

Systemtic Name: 3-(3-propan-2-yl-5-sulfanylidene-1H-1,2,4-triazol-4-yl)benzenecarbonitrile Openeye Name: 3-(3-isopropyl-5-thioxo-1H-1,2,4-triazol-4-yl)benzonitrile CAS Name: 3-(3-propan-2-yl-5-sulfanylidene-1H-1,2,4-triazol-4-yl)benzonitrile IUPAC Name: 3-(3-propan-2-yl-5-sulfanylidene-1H-1,2,4-triazol-4-yl)benzonitrile Traditional Name: 3-(3-isopropyl-5-thioxo-1H-1,2,4-triazol-4-yl)benzonitrile Formula: C12H12N4S MolecularWeight: 244.31548

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=NNC(=S)N1C2=CC=CC(=C2)C#N

Isomeric SMILES

CC(C)C1=NNC(=S)N1C2=CC=CC(=C2)C#N

InChI

InChI=1S/C12H12N4S/c1-8(2)11-14-15-12(17)16(11)10-5-3-4-9(6-10)7-13/h3-6,8H,1-2H3,(H,15,17)