N-(4-methoxyphenyl)-3-phenyl-3,4-dihydropyrazole-2-carbothioamide

Systemtic Name: N-(4-methoxyphenyl)-3-phenyl-3,4-dihydropyrazole-2-carbothioamide Openeye Name: N-(4-methoxyphenyl)-3-phenyl-3,4-dihydropyrazole-2-carbothioamide CAS Name: N-(4-methoxyphenyl)-3-phenyl-3,4-dihydropyrazole-2-carbothioamide IUPAC Name: N-(4-methoxyphenyl)-3-phenyl-3,4-dihydropyrazole-2-carbothioamide Traditional Name: N-(4-methoxyphenyl)-5-phenyl-2-pyrazoline-1-carbothioamide Formula: C17H17N3OS MolecularWeight: 311.40138

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)NC(=S)N2C(CC=N2)C3=CC=CC=C3

Isomeric SMILES

COC1=CC=C(C=C1)NC(=S)N2C(CC=N2)C3=CC=CC=C3

InChI

InChI=1S/C17H17N3OS/c1-21-15-9-7-14(8-10-15)19-17(22)20-16(11-12-18-20)13-5-3-2-4-6-13/h2-10,12,16H,11H2,1H3,(H,19,22)