3-(5-phenyl-3-sulfanylidene-1H-1,2,4-triazol-2-yl)propanenitrile

Systemtic Name: 3-(5-phenyl-3-sulfanylidene-1H-1,2,4-triazol-2-yl)propanenitrile Openeye Name: 3-(5-phenyl-3-thioxo-1H-1,2,4-triazol-2-yl)propanenitrile CAS Name: 3-(5-phenyl-3-sulfanylidene-1H-1,2,4-triazol-2-yl)propanenitrile IUPAC Name: 3-(5-phenyl-3-sulfanylidene-1H-1,2,4-triazol-2-yl)propanenitrile Traditional Name: 3-(5-phenyl-3-thioxo-1H-1,2,4-triazol-2-yl)propionitrile Formula: C11H10N4S MolecularWeight: 230.2889

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=NC(=S)N(N2)CCC#N

Isomeric SMILES

C1=CC=C(C=C1)C2=NC(=S)N(N2)CCC#N

InChI

InChI=1S/C11H10N4S/c12-7-4-8-15-11(16)13-10(14-15)9-5-2-1-3-6-9/h1-3,5-6H,4,8H2,(H,13,14,16)