N-[(1R)-1-(1H-benzimidazol-2-yl)-3-methylsulfanyl-propyl]-2-(3,5-dimethyl-4-nitro-pyrazol-1-yl)ethanamide

Systemtic Name: N-[(1R)-1-(1H-benzimidazol-2-yl)-3-methylsulfanyl-propyl]-2-(3,5-dimethyl-4-nitro-pyrazol-1-yl)ethanamide Openeye Name: N-[(1R)-1-(1H-benzimidazol-2-yl)-3-methylsulfanyl-propyl]-2-(3,5-dimethyl-4-nitro-pyrazol-1-yl)acetamide CAS Name: N-[(1R)-1-(1H-benzimidazol-2-yl)-3-(methylthio)propyl]-2-(3,5-dimethyl-4-nitro-1-pyrazolyl)acetamide IUPAC Name: N-[(1R)-1-(1H-benzimidazol-2-yl)-3-methylsulfanylpropyl]-2-(3,5-dimethyl-4-nitropyrazol-1-yl)acetamide Traditional Name: N-[(1R)-1-(1H-benzimidazol-2-yl)-3-(methylthio)propyl]-2-(3,5-dimethyl-4-nitro-pyrazol-1-yl)acetamide Formula: C18H22N6O3S MolecularWeight: 402.47068

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1CC(=O)NC(CCSC)C2=NC3=CC=CC=C3N2)C)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C(=NN1CC(=O)N[C@H](CCSC)C2=NC3=CC=CC=C3N2)C)[N+](=O)[O-]

InChI

InChI=1S/C18H22N6O3S/c1-11-17(24(26)27)12(2)23(22-11)10-16(25)19-15(8-9-28-3)18-20-13-6-4-5-7-14(13)21-18/h4-7,15H,8-10H2,1-3H3,(H,19,25)(H,20,21)/t15-/m1/s1