3-[3-phenyl-4-[(Z)-(5-sulfanylidene-1H-1,2,4-triazol-4-yl)iminomethyl]pyrazol-1-yl]propanenitrile

Systemtic Name: 3-[3-phenyl-4-[(Z)-(5-sulfanylidene-1H-1,2,4-triazol-4-yl)iminomethyl]pyrazol-1-yl]propanenitrile Openeye Name: 3-[3-phenyl-4-[(Z)-(5-thioxo-1H-1,2,4-triazol-4-yl)iminomethyl]pyrazol-1-yl]propanenitrile CAS Name: 3-[3-phenyl-4-[(Z)-(5-sulfanylidene-1H-1,2,4-triazol-4-yl)iminomethyl]-1-pyrazolyl]propanenitrile IUPAC Name: 3-[3-phenyl-4-[(Z)-(5-sulfanylidene-1H-1,2,4-triazol-4-yl)iminomethyl]pyrazol-1-yl]propanenitrile Traditional Name: 3-[3-phenyl-4-[(Z)-(5-thioxo-1H-1,2,4-triazol-4-yl)iminomethyl]pyrazol-1-yl]propionitrile Formula: C15H13N7S MolecularWeight: 323.37562

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=NN(C=C2C=NN3C=NNC3=S)CCC#N

Isomeric SMILES

C1=CC=C(C=C1)C2=NN(C=C2/C=N\N3C=NNC3=S)CCC#N

InChI

InChI=1S/C15H13N7S/c16-7-4-8-21-10-13(9-18-22-11-17-19-15(22)23)14(20-21)12-5-2-1-3-6-12/h1-3,5-6,9-11H,4,8H2,(H,19,23)/b18-9-