2-(1,3-dihydrobenzimidazol-2-ylidene)-4-[(1-methyl-1,2,3,4-tetrazol-5-yl)sulfanyl]-3-oxidanylidene-pentanenitrile

Systemtic Name: 2-(1,3-dihydrobenzimidazol-2-ylidene)-4-[(1-methyl-1,2,3,4-tetrazol-5-yl)sulfanyl]-3-oxidanylidene-pentanenitrile Openeye Name: 2-(1,3-dihydrobenzimidazol-2-ylidene)-4-(1-methyltetrazol-5-yl)sulfanyl-3-oxo-pentanenitrile CAS Name: 2-(1,3-dihydrobenzimidazol-2-ylidene)-4-[(1-methyl-5-tetrazolyl)thio]-3-oxopentanenitrile IUPAC Name: 2-(1,3-dihydrobenzimidazol-2-ylidene)-4-(1-methyltetrazol-5-yl)sulfanyl-3-oxopentanenitrile Traditional Name: 2-(1,3-dihydrobenzimidazol-2-ylidene)-3-keto-4-[(1-methyltetrazol-5-yl)thio]valeronitrile Formula: C14H13N7OS MolecularWeight: 327.36432

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)C(=C1NC2=CC=CC=C2N1)C#N)SC3=NN=NN3C

Isomeric SMILES

CC(C(=O)C(=C1NC2=CC=CC=C2N1)C#N)SC3=NN=NN3C

InChI

InChI=1S/C14H13N7OS/c1-8(23-14-18-19-20-21(14)2)12(22)9(7-15)13-16-10-5-3-4-6-11(10)17-13/h3-6,8,16-17H,1-2H3