N-(4-butylphenyl)-4-(2-hydroxyphenyl)carbonyl-pyrazole-1-carbothioamide

Systemtic Name: N-(4-butylphenyl)-4-(2-hydroxyphenyl)carbonyl-pyrazole-1-carbothioamide Openeye Name: N-(4-butylphenyl)-4-(2-hydroxybenzoyl)pyrazole-1-carbothioamide CAS Name: N-(4-butylphenyl)-4-[(2-hydroxyphenyl)-oxomethyl]-1-pyrazolecarbothioamide IUPAC Name: N-(4-butylphenyl)-4-(2-hydroxybenzoyl)pyrazole-1-carbothioamide Traditional Name: N-(4-butylphenyl)-4-salicyloyl-pyrazole-1-carbothioamide Formula: C21H21N3O2S MolecularWeight: 379.47534

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC=C(C=C1)NC(=S)N2C=C(C=N2)C(=O)C3=CC=CC=C3O

Isomeric SMILES

CCCCC1=CC=C(C=C1)NC(=S)N2C=C(C=N2)C(=O)C3=CC=CC=C3O

InChI

InChI=1S/C21H21N3O2S/c1-2-3-6-15-9-11-17(12-10-15)23-21(27)24-14-16(13-22-24)20(26)18-7-4-5-8-19(18)25/h4-5,7-14,25H,2-3,6H2,1H3,(H,23,27)