1,5-dimethyl-2-phenyl-4-[(E)-(3-phenyl-5-sulfanylidene-1H-1,2,4-triazol-4-yl)iminomethyl]pyrazol-3-one

Systemtic Name: 1,5-dimethyl-2-phenyl-4-[(E)-(3-phenyl-5-sulfanylidene-1H-1,2,4-triazol-4-yl)iminomethyl]pyrazol-3-one Openeye Name: 1,5-dimethyl-2-phenyl-4-[(E)-(3-phenyl-5-thioxo-1H-1,2,4-triazol-4-yl)iminomethyl]pyrazol-3-one CAS Name: 1,5-dimethyl-2-phenyl-4-[(E)-(3-phenyl-5-sulfanylidene-1H-1,2,4-triazol-4-yl)iminomethyl]-3-pyrazolone IUPAC Name: 1,5-dimethyl-2-phenyl-4-[(E)-(3-phenyl-5-sulfanylidene-1H-1,2,4-triazol-4-yl)iminomethyl]pyrazol-3-one Traditional Name: 1,5-dimethyl-2-phenyl-4-[(E)-(3-phenyl-5-thioxo-1H-1,2,4-triazol-4-yl)iminomethyl]-3-pyrazolin-3-one Formula: C20H18N6OS MolecularWeight: 390.46152

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)N(N1C)C2=CC=CC=C2)C=NN3C(=NNC3=S)C4=CC=CC=C4

Isomeric SMILES

CC1=C(C(=O)N(N1C)C2=CC=CC=C2)/C=N/N3C(=NNC3=S)C4=CC=CC=C4

InChI

InChI=1S/C20H18N6OS/c1-14-17(19(27)26(24(14)2)16-11-7-4-8-12-16)13-21-25-18(22-23-20(25)28)15-9-5-3-6-10-15/h3-13H,1-2H3,(H,23,28)/b21-13+