[(2S)-2-(1H-benzimidazol-2-yl)pyrrolidin-1-yl]-(4-methylsulfanyl-3-nitro-phenyl)methanone

Systemtic Name: [(2S)-2-(1H-benzimidazol-2-yl)pyrrolidin-1-yl]-(4-methylsulfanyl-3-nitro-phenyl)methanone Openeye Name: [(2S)-2-(1H-benzimidazol-2-yl)pyrrolidin-1-yl]-(4-methylsulfanyl-3-nitro-phenyl)methanone CAS Name: [(2S)-2-(1H-benzimidazol-2-yl)-1-pyrrolidinyl]-[4-(methylthio)-3-nitrophenyl]methanone IUPAC Name: [(2S)-2-(1H-benzimidazol-2-yl)pyrrolidin-1-yl]-(4-methylsulfanyl-3-nitrophenyl)methanone Traditional Name: [(2S)-2-(1H-benzimidazol-2-yl)pyrrolidino]-[4-(methylthio)-3-nitro-phenyl]methanone Formula: C19H18N4O3S MolecularWeight: 382.43622

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CSC1=C(C=C(C=C1)C(=O)N2CCCC2C3=NC4=CC=CC=C4N3)[N+](=O)[O-]

Isomeric SMILES

CSC1=C(C=C(C=C1)C(=O)N2CCC[C@H]2C3=NC4=CC=CC=C4N3)[N+](=O)[O-]

InChI

InChI=1S/C19H18N4O3S/c1-27-17-9-8-12(11-16(17)23(25)26)19(24)22-10-4-7-15(22)18-20-13-5-2-3-6-14(13)21-18/h2-3,5-6,8-9,11,15H,4,7,10H2,1H3,(H,20,21)/t15-/m0/s1