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

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

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)N2C=NN(C2=S)CCC#N

Isomeric SMILES

C1=CC=C(C=C1)N2C=NN(C2=S)CCC#N

InChI

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