(4-methyl-1,4-diazepan-1-yl)-[2-(4-methylphenyl)sulfanylpyridin-3-yl]methanone

Systemtic Name: (4-methyl-1,4-diazepan-1-yl)-[2-(4-methylphenyl)sulfanylpyridin-3-yl]methanone Openeye Name: (4-methyl-1,4-diazepan-1-yl)-[2-(p-tolylsulfanyl)-3-pyridyl]methanone CAS Name: (4-methyl-1,4-diazepan-1-yl)-[2-[(4-methylphenyl)thio]-3-pyridinyl]methanone IUPAC Name: (4-methyl-1,4-diazepan-1-yl)-[2-(4-methylphenyl)sulfanylpyridin-3-yl]methanone Traditional Name: (4-methyl-1,4-diazepan-1-yl)-[2-(p-tolylthio)-3-pyridyl]methanone Formula: C19H23N3OS MolecularWeight: 341.47042

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)SC2=C(C=CC=N2)C(=O)N3CCCN(CC3)C

Isomeric SMILES

CC1=CC=C(C=C1)SC2=C(C=CC=N2)C(=O)N3CCCN(CC3)C

InChI

InChI=1S/C19H23N3OS/c1-15-6-8-16(9-7-15)24-18-17(5-3-10-20-18)19(23)22-12-4-11-21(2)13-14-22/h3,5-10H,4,11-14H2,1-2H3