4-[(5-azanyl-1H-1,2,4-triazol-3-yl)sulfanyl]-2-(1,3-dihydrobenzimidazol-2-ylidene)-3-oxidanylidene-butanenitrile

Systemtic Name: 4-[(5-azanyl-1H-1,2,4-triazol-3-yl)sulfanyl]-2-(1,3-dihydrobenzimidazol-2-ylidene)-3-oxidanylidene-butanenitrile Openeye Name: 4-[(5-amino-1H-1,2,4-triazol-3-yl)sulfanyl]-2-(1,3-dihydrobenzimidazol-2-ylidene)-3-oxo-butanenitrile CAS Name: 4-[(5-amino-1H-1,2,4-triazol-3-yl)thio]-2-(1,3-dihydrobenzimidazol-2-ylidene)-3-oxobutanenitrile IUPAC Name: 4-[(5-amino-1H-1,2,4-triazol-3-yl)sulfanyl]-2-(1,3-dihydrobenzimidazol-2-ylidene)-3-oxobutanenitrile Traditional Name: 4-[(5-amino-1H-1,2,4-triazol-3-yl)thio]-2-(1,3-dihydrobenzimidazol-2-ylidene)-3-keto-butyronitrile Formula: C13H11N7OS MolecularWeight: 313.33774

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)NC(=C(C#N)C(=O)CSC3=NNC(=N3)N)N2

Isomeric SMILES

C1=CC=C2C(=C1)NC(=C(C#N)C(=O)CSC3=NNC(=N3)N)N2

InChI

InChI=1S/C13H11N7OS/c14-5-7(10(21)6-22-13-18-12(15)19-20-13)11-16-8-3-1-2-4-9(8)17-11/h1-4,16-17H,6H2,(H3,15,18,19,20)