2-[(4,5-dimethyl-1,2,4-triazol-3-yl)sulfanyl]-1-(5-phenyl-3,4-dihydropyrazol-2-yl)ethanone

Systemtic Name: 2-[(4,5-dimethyl-1,2,4-triazol-3-yl)sulfanyl]-1-(5-phenyl-3,4-dihydropyrazol-2-yl)ethanone Openeye Name: 2-[(4,5-dimethyl-1,2,4-triazol-3-yl)sulfanyl]-1-(5-phenyl-3,4-dihydropyrazol-2-yl)ethanone CAS Name: 2-[(4,5-dimethyl-1,2,4-triazol-3-yl)thio]-1-(5-phenyl-3,4-dihydropyrazol-2-yl)ethanone IUPAC Name: 2-[(4,5-dimethyl-1,2,4-triazol-3-yl)sulfanyl]-1-(5-phenyl-3,4-dihydropyrazol-2-yl)ethanone Traditional Name: 2-[(4,5-dimethyl-1,2,4-triazol-3-yl)thio]-1-(3-phenyl-2-pyrazolin-1-yl)ethanone Formula: C15H17N5OS MolecularWeight: 315.39338

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN=C(N1C)SCC(=O)N2CCC(=N2)C3=CC=CC=C3

Isomeric SMILES

CC1=NN=C(N1C)SCC(=O)N2CCC(=N2)C3=CC=CC=C3

InChI

InChI=1S/C15H17N5OS/c1-11-16-17-15(19(11)2)22-10-14(21)20-9-8-13(18-20)12-6-4-3-5-7-12/h3-7H,8-10H2,1-2H3