benzoic acid; 1-methyl-2-[[(2S)-pyrrolidin-2-yl]methylsulfanyl]imidazole

Systemtic Name: benzoic acid; 1-methyl-2-[[(2S)-pyrrolidin-2-yl]methylsulfanyl]imidazole Openeye Name: benzoic acid; 1-methyl-2-[[(2S)-pyrrolidin-2-yl]methylsulfanyl]imidazole CAS Name: benzoic acid; 1-methyl-2-[[(2S)-2-pyrrolidinyl]methylthio]imidazole IUPAC Name: benzoic acid; 1-methyl-2-[[(2S)-pyrrolidin-2-yl]methylsulfanyl]imidazole Traditional Name: benzoic acid; 1-methyl-2-[[(2S)-pyrrolidin-2-yl]methylthio]imidazole Formula: C16H21N3O2S MolecularWeight: 319.42184

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=CN=C1SCC2CCCN2.C1=CC=C(C=C1)C(=O)O

Isomeric SMILES

CN1C=CN=C1SC[C@@H]2CCCN2.C1=CC=C(C=C1)C(=O)O

InChI

InChI=1S/C9H15N3S.C7H6O2/c1-12-6-5-11-9(12)13-7-8-3-2-4-10-8;8-7(9)6-4-2-1-3-5-6/h5-6,8,10H,2-4,7H2,1H3;1-5H,(H,8,9)/t8-;/m0./s1