(2S)-2-(1-methylbenzimidazol-2-yl)sulfanyl-N-(5-methyl-3-oxidanylidene-2-phenyl-1H-pyrazol-4-yl)propanamide

Systemtic Name: (2S)-2-(1-methylbenzimidazol-2-yl)sulfanyl-N-(5-methyl-3-oxidanylidene-2-phenyl-1H-pyrazol-4-yl)propanamide Openeye Name: (2S)-2-(1-methylbenzimidazol-2-yl)sulfanyl-N-(5-methyl-3-oxo-2-phenyl-1H-pyrazol-4-yl)propanamide CAS Name: (2S)-2-[(1-methyl-2-benzimidazolyl)thio]-N-(5-methyl-3-oxo-2-phenyl-1H-pyrazol-4-yl)propanamide IUPAC Name: (2S)-2-(1-methylbenzimidazol-2-yl)sulfanyl-N-(5-methyl-3-oxo-2-phenyl-1H-pyrazol-4-yl)propanamide Traditional Name: (2S)-N-(5-keto-3-methyl-1-phenyl-3-pyrazolin-4-yl)-2-[(1-methylbenzimidazol-2-yl)thio]propionamide Formula: C21H21N5O2S MolecularWeight: 407.48874

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)N(N1)C2=CC=CC=C2)NC(=O)C(C)SC3=NC4=CC=CC=C4N3C

Isomeric SMILES

CC1=C(C(=O)N(N1)C2=CC=CC=C2)NC(=O)[C@H](C)SC3=NC4=CC=CC=C4N3C

InChI

InChI=1S/C21H21N5O2S/c1-13-18(20(28)26(24-13)15-9-5-4-6-10-15)23-19(27)14(2)29-21-22-16-11-7-8-12-17(16)25(21)3/h4-12,14,24H,1-3H3,(H,23,27)/t14-/m0/s1