3-chloranyl-2-phenyl-6-[4-(3-sulfanylidene-1H-1,2,4-triazol-2-yl)butyl]benzenecarbonitrile

Systemtic Name: 3-chloranyl-2-phenyl-6-[4-(3-sulfanylidene-1H-1,2,4-triazol-2-yl)butyl]benzenecarbonitrile Openeye Name: 3-chloro-2-phenyl-6-[4-(3-thioxo-1H-1,2,4-triazol-2-yl)butyl]benzonitrile CAS Name: 3-chloro-2-phenyl-6-[4-(3-sulfanylidene-1H-1,2,4-triazol-2-yl)butyl]benzonitrile IUPAC Name: 3-chloro-2-phenyl-6-[4-(3-sulfanylidene-1H-1,2,4-triazol-2-yl)butyl]benzonitrile Traditional Name: 3-chloro-2-phenyl-6-[4-(3-thioxo-1H-1,2,4-triazol-2-yl)butyl]benzonitrile Formula: C19H17ClN4S MolecularWeight: 368.88308

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=C(C=CC(=C2C#N)CCCCN3C(=S)N=CN3)Cl

Isomeric SMILES

C1=CC=C(C=C1)C2=C(C=CC(=C2C#N)CCCCN3C(=S)N=CN3)Cl

InChI

InChI=1S/C19H17ClN4S/c20-17-10-9-14(6-4-5-11-24-19(25)22-13-23-24)16(12-21)18(17)15-7-2-1-3-8-15/h1-3,7-10,13H,4-6,11H2,(H,22,23,25)