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

Systemtic Name: 3-[4-[(Z)-(3-cyclopropyl-5-sulfanylidene-1H-1,2,4-triazol-4-yl)iminomethyl]-3-phenyl-pyrazol-1-yl]propanenitrile Openeye Name: 3-[4-[(Z)-(3-cyclopropyl-5-thioxo-1H-1,2,4-triazol-4-yl)iminomethyl]-3-phenyl-pyrazol-1-yl]propanenitrile CAS Name: 3-[4-[(Z)-(3-cyclopropyl-5-sulfanylidene-1H-1,2,4-triazol-4-yl)iminomethyl]-3-phenyl-1-pyrazolyl]propanenitrile IUPAC Name: 3-[4-[(Z)-(3-cyclopropyl-5-sulfanylidene-1H-1,2,4-triazol-4-yl)iminomethyl]-3-phenylpyrazol-1-yl]propanenitrile Traditional Name: 3-[4-[(Z)-(3-cyclopropyl-5-thioxo-1H-1,2,4-triazol-4-yl)iminomethyl]-3-phenyl-pyrazol-1-yl]propionitrile Formula: C18H17N7S MolecularWeight: 363.43948

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Descriptors Computed from Structure

Canonical SMILES:

C1CC1C2=NNC(=S)N2N=CC3=CN(N=C3C4=CC=CC=C4)CCC#N

Isomeric SMILES

C1CC1C2=NNC(=S)N2/N=C\C3=CN(N=C3C4=CC=CC=C4)CCC#N

InChI

InChI=1S/C18H17N7S/c19-9-4-10-24-12-15(16(23-24)13-5-2-1-3-6-13)11-20-25-17(14-7-8-14)21-22-18(25)26/h1-3,5-6,11-12,14H,4,7-8,10H2,(H,22,26)/b20-11-