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

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

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=NNC(=S)N2CCC#N

Isomeric SMILES

C1=CC=C(C=C1)C2=NNC(=S)N2CCC#N

InChI

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