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

Systemtic Name: N-[6-[1-[4-methyl-5-(4-methylphenyl)carbothioyl-1H-pyrrol-2-yl]ethyl]pyridin-3-yl]ethanesulfonamide Openeye Name: N-[6-[1-[4-methyl-5-(4-methylbenzenecarbothioyl)-1H-pyrrol-2-yl]ethyl]-3-pyridyl]ethanesulfonamide CAS Name: N-[6-[1-[4-methyl-5-[(4-methylphenyl)-sulfanylidenemethyl]-1H-pyrrol-2-yl]ethyl]-3-pyridinyl]ethanesulfonamide IUPAC Name: N-[6-[1-[4-methyl-5-(4-methylbenzenecarbothioyl)-1H-pyrrol-2-yl]ethyl]pyridin-3-yl]ethanesulfonamide Traditional Name: N-[6-[1-[4-methyl-5-(4-methylthiobenzoyl)-1H-pyrrol-2-yl]ethyl]-3-pyridyl]ethanesulfonamide Formula: C22H25N3O2S2 MolecularWeight: 427.5828

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Descriptors Computed from Structure

Canonical SMILES:

CCS(=O)(=O)NC1=CN=C(C=C1)C(C)C2=CC(=C(N2)C(=S)C3=CC=C(C=C3)C)C

Isomeric SMILES

CCS(=O)(=O)NC1=CN=C(C=C1)C(C)C2=CC(=C(N2)C(=S)C3=CC=C(C=C3)C)C

InChI

InChI=1S/C22H25N3O2S2/c1-5-29(26,27)25-18-10-11-19(23-13-18)16(4)20-12-15(3)21(24-20)22(28)17-8-6-14(2)7-9-17/h6-13,16,24-25H,5H2,1-4H3