N-(1,5-dimethyl-3-oxidanylidene-2-phenyl-pyrazol-4-yl)-2-[(1-phenyl-4,5,6,7-tetrahydrobenzimidazol-2-yl)sulfanyl]propanamide

Systemtic Name: N-(1,5-dimethyl-3-oxidanylidene-2-phenyl-pyrazol-4-yl)-2-[(1-phenyl-4,5,6,7-tetrahydrobenzimidazol-2-yl)sulfanyl]propanamide Openeye Name: N-(1,5-dimethyl-3-oxo-2-phenyl-pyrazol-4-yl)-2-[(1-phenyl-4,5,6,7-tetrahydrobenzimidazol-2-yl)sulfanyl]propanamide CAS Name: N-(1,5-dimethyl-3-oxo-2-phenyl-4-pyrazolyl)-2-[(1-phenyl-4,5,6,7-tetrahydrobenzimidazol-2-yl)thio]propanamide IUPAC Name: N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-2-[(1-phenyl-4,5,6,7-tetrahydrobenzimidazol-2-yl)sulfanyl]propanamide Traditional Name: N-(3-keto-1,5-dimethyl-2-phenyl-3-pyrazolin-4-yl)-2-[(1-phenyl-4,5,6,7-tetrahydrobenzimidazol-2-yl)thio]propionamide Formula: C27H29N5O2S MolecularWeight: 487.61646

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)N(N1C)C2=CC=CC=C2)NC(=O)C(C)SC3=NC4=C(N3C5=CC=CC=C5)CCCC4

Isomeric SMILES

CC1=C(C(=O)N(N1C)C2=CC=CC=C2)NC(=O)C(C)SC3=NC4=C(N3C5=CC=CC=C5)CCCC4

InChI

InChI=1S/C27H29N5O2S/c1-18-24(26(34)32(30(18)3)21-14-8-5-9-15-21)29-25(33)19(2)35-27-28-22-16-10-11-17-23(22)31(27)20-12-6-4-7-13-20/h4-9,12-15,19H,10-11,16-17H2,1-3H3,(H,29,33)