N-(5-methyl-2-phenyl-pyrazol-3-yl)-2-(1-prop-2-enylbenzimidazol-2-yl)sulfanyl-ethanamide

Systemtic Name: N-(5-methyl-2-phenyl-pyrazol-3-yl)-2-(1-prop-2-enylbenzimidazol-2-yl)sulfanyl-ethanamide Openeye Name: 2-(1-allylbenzimidazol-2-yl)sulfanyl-N-(5-methyl-2-phenyl-pyrazol-3-yl)acetamide CAS Name: N-(5-methyl-2-phenyl-3-pyrazolyl)-2-[(1-prop-2-enyl-2-benzimidazolyl)thio]acetamide IUPAC Name: N-(5-methyl-2-phenylpyrazol-3-yl)-2-(1-prop-2-enylbenzimidazol-2-yl)sulfanylacetamide Traditional Name: 2-[(1-allylbenzimidazol-2-yl)thio]-N-(5-methyl-2-phenyl-pyrazol-3-yl)acetamide Formula: C22H21N5OS MolecularWeight: 403.50004

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=C1)NC(=O)CSC2=NC3=CC=CC=C3N2CC=C)C4=CC=CC=C4

Isomeric SMILES

CC1=NN(C(=C1)NC(=O)CSC2=NC3=CC=CC=C3N2CC=C)C4=CC=CC=C4

InChI

InChI=1S/C22H21N5OS/c1-3-13-26-19-12-8-7-11-18(19)23-22(26)29-15-21(28)24-20-14-16(2)25-27(20)17-9-5-4-6-10-17/h3-12,14H,1,13,15H2,2H3,(H,24,28)