2-[4-[(3-butyl-5-sulfanylidene-1H-1,2,4-triazol-4-yl)methyl]phenyl]benzenecarbonitrile

Systemtic Name: 2-[4-[(3-butyl-5-sulfanylidene-1H-1,2,4-triazol-4-yl)methyl]phenyl]benzenecarbonitrile Openeye Name: 2-[4-[(3-butyl-5-thioxo-1H-1,2,4-triazol-4-yl)methyl]phenyl]benzonitrile CAS Name: 2-[4-[(3-butyl-5-sulfanylidene-1H-1,2,4-triazol-4-yl)methyl]phenyl]benzonitrile IUPAC Name: 2-[4-[(3-butyl-5-sulfanylidene-1H-1,2,4-triazol-4-yl)methyl]phenyl]benzonitrile Traditional Name: 2-[4-[(3-butyl-5-thioxo-1H-1,2,4-triazol-4-yl)methyl]phenyl]benzonitrile Formula: C20H20N4S MolecularWeight: 348.4646

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=NNC(=S)N1CC2=CC=C(C=C2)C3=CC=CC=C3C#N

Isomeric SMILES

CCCCC1=NNC(=S)N1CC2=CC=C(C=C2)C3=CC=CC=C3C#N

InChI

InChI=1S/C20H20N4S/c1-2-3-8-19-22-23-20(25)24(19)14-15-9-11-16(12-10-15)18-7-5-4-6-17(18)13-21/h4-7,9-12H,2-3,8,14H2,1H3,(H,23,25)