1-(1H-benzimidazol-2-ylmethyl)-3-(1,5-dimethyl-3-oxidanylidene-2-phenyl-pyrazol-4-yl)thiourea

Systemtic Name: 1-(1H-benzimidazol-2-ylmethyl)-3-(1,5-dimethyl-3-oxidanylidene-2-phenyl-pyrazol-4-yl)thiourea Openeye Name: 1-(1H-benzimidazol-2-ylmethyl)-3-(1,5-dimethyl-3-oxo-2-phenyl-pyrazol-4-yl)thiourea CAS Name: 1-(1H-benzimidazol-2-ylmethyl)-3-(1,5-dimethyl-3-oxo-2-phenyl-4-pyrazolyl)thiourea IUPAC Name: 1-(1H-benzimidazol-2-ylmethyl)-3-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)thiourea Traditional Name: 1-(1H-benzimidazol-2-ylmethyl)-3-(3-keto-1,5-dimethyl-2-phenyl-3-pyrazolin-4-yl)thiourea Formula: C20H20N6OS MolecularWeight: 392.4774

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)N(N1C)C2=CC=CC=C2)NC(=S)NCC3=NC4=CC=CC=C4N3

Isomeric SMILES

CC1=C(C(=O)N(N1C)C2=CC=CC=C2)NC(=S)NCC3=NC4=CC=CC=C4N3

InChI

InChI=1S/C20H20N6OS/c1-13-18(19(27)26(25(13)2)14-8-4-3-5-9-14)24-20(28)21-12-17-22-15-10-6-7-11-16(15)23-17/h3-11H,12H2,1-2H3,(H,22,23)(H2,21,24,28)