[(2S)-2-(1H-benzimidazol-2-yl)pyrrolidin-1-yl]-[4-(methylsulfanylmethyl)phenyl]methanone

Systemtic Name: [(2S)-2-(1H-benzimidazol-2-yl)pyrrolidin-1-yl]-[4-(methylsulfanylmethyl)phenyl]methanone Openeye Name: [(2S)-2-(1H-benzimidazol-2-yl)pyrrolidin-1-yl]-[4-(methylsulfanylmethyl)phenyl]methanone CAS Name: [(2S)-2-(1H-benzimidazol-2-yl)-1-pyrrolidinyl]-[4-[(methylthio)methyl]phenyl]methanone IUPAC Name: [(2S)-2-(1H-benzimidazol-2-yl)pyrrolidin-1-yl]-[4-(methylsulfanylmethyl)phenyl]methanone Traditional Name: [(2S)-2-(1H-benzimidazol-2-yl)pyrrolidino]-[4-[(methylthio)methyl]phenyl]methanone Formula: C20H21N3OS MolecularWeight: 351.46524

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Descriptors Computed from Structure

Canonical SMILES:

CSCC1=CC=C(C=C1)C(=O)N2CCCC2C3=NC4=CC=CC=C4N3

Isomeric SMILES

CSCC1=CC=C(C=C1)C(=O)N2CCC[C@H]2C3=NC4=CC=CC=C4N3

InChI

InChI=1S/C20H21N3OS/c1-25-13-14-8-10-15(11-9-14)20(24)23-12-4-7-18(23)19-21-16-5-2-3-6-17(16)22-19/h2-3,5-6,8-11,18H,4,7,12-13H2,1H3,(H,21,22)/t18-/m0/s1