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

Systemtic Name: 3-[(3-sulfanylidene-1H-1,2,4-triazol-2-yl)methyl]benzenecarbonitrile Openeye Name: 3-[(3-thioxo-1H-1,2,4-triazol-2-yl)methyl]benzonitrile CAS Name: 3-[(3-sulfanylidene-1H-1,2,4-triazol-2-yl)methyl]benzonitrile IUPAC Name: 3-[(3-sulfanylidene-1H-1,2,4-triazol-2-yl)methyl]benzonitrile Traditional Name: 3-[(3-thioxo-1H-1,2,4-triazol-2-yl)methyl]benzonitrile Formula: C10H8N4S MolecularWeight: 216.26232

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)CN2C(=S)N=CN2)C#N

Isomeric SMILES

C1=CC(=CC(=C1)CN2C(=S)N=CN2)C#N

InChI

InChI=1S/C10H8N4S/c11-5-8-2-1-3-9(4-8)6-14-10(15)12-7-13-14/h1-4,7H,6H2,(H,12,13,15)