N-[6-[1-[4-methyl-5-(4-methylphenyl)carbothioyl-1H-pyrrol-2-yl]ethyl]pyridin-3-yl]methanesulfonamide

Systemtic Name: N-[6-[1-[4-methyl-5-(4-methylphenyl)carbothioyl-1H-pyrrol-2-yl]ethyl]pyridin-3-yl]methanesulfonamide Openeye Name: N-[6-[1-[4-methyl-5-(4-methylbenzenecarbothioyl)-1H-pyrrol-2-yl]ethyl]-3-pyridyl]methanesulfonamide CAS Name: N-[6-[1-[4-methyl-5-[(4-methylphenyl)-sulfanylidenemethyl]-1H-pyrrol-2-yl]ethyl]-3-pyridinyl]methanesulfonamide IUPAC Name: N-[6-[1-[4-methyl-5-(4-methylbenzenecarbothioyl)-1H-pyrrol-2-yl]ethyl]pyridin-3-yl]methanesulfonamide Traditional Name: N-[6-[1-[4-methyl-5-(4-methylthiobenzoyl)-1H-pyrrol-2-yl]ethyl]-3-pyridyl]methanesulfonamide Formula: C21H23N3O2S2 MolecularWeight: 413.55622

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C(=S)C2=C(C=C(N2)C(C)C3=NC=C(C=C3)NS(=O)(=O)C)C

Isomeric SMILES

CC1=CC=C(C=C1)C(=S)C2=C(C=C(N2)C(C)C3=NC=C(C=C3)NS(=O)(=O)C)C

InChI

InChI=1S/C21H23N3O2S2/c1-13-5-7-16(8-6-13)21(27)20-14(2)11-19(23-20)15(3)18-10-9-17(12-22-18)24-28(4,25)26/h5-12,15,23-24H,1-4H3