methyl N-[(3,5-diphenyl-3,4-dihydropyrazol-2-yl)carbothioyl]carbamate

Systemtic Name: methyl N-[(3,5-diphenyl-3,4-dihydropyrazol-2-yl)carbothioyl]carbamate Openeye Name: methyl N-(3,5-diphenyl-3,4-dihydropyrazole-2-carbothioyl)carbamate CAS Name: N-[(3,5-diphenyl-3,4-dihydropyrazol-2-yl)-sulfanylidenemethyl]carbamic acid methyl ester IUPAC Name: methyl N-(3,5-diphenyl-3,4-dihydropyrazole-2-carbothioyl)carbamate Traditional Name: N-(3,5-diphenyl-2-pyrazoline-1-carbothioyl)carbamic acid methyl ester Formula: C18H17N3O2S MolecularWeight: 339.41148

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)NC(=S)N1C(CC(=N1)C2=CC=CC=C2)C3=CC=CC=C3

Isomeric SMILES

COC(=O)NC(=S)N1C(CC(=N1)C2=CC=CC=C2)C3=CC=CC=C3

InChI

InChI=1S/C18H17N3O2S/c1-23-18(22)19-17(24)21-16(14-10-6-3-7-11-14)12-15(20-21)13-8-4-2-5-9-13/h2-11,16H,12H2,1H3,(H,19,22,24)