(4-methyl-1,4-diazepan-1-yl)-(2-phenylsulfanylpyridin-3-yl)methanone

Systemtic Name: (4-methyl-1,4-diazepan-1-yl)-(2-phenylsulfanylpyridin-3-yl)methanone Openeye Name: (4-methyl-1,4-diazepan-1-yl)-(2-phenylsulfanyl-3-pyridyl)methanone CAS Name: (4-methyl-1,4-diazepan-1-yl)-[2-(phenylthio)-3-pyridinyl]methanone IUPAC Name: (4-methyl-1,4-diazepan-1-yl)-(2-phenylsulfanylpyridin-3-yl)methanone Traditional Name: (4-methyl-1,4-diazepan-1-yl)-[2-(phenylthio)-3-pyridyl]methanone Formula: C18H21N3OS MolecularWeight: 327.44384

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCCN(CC1)C(=O)C2=C(N=CC=C2)SC3=CC=CC=C3

Isomeric SMILES

CN1CCCN(CC1)C(=O)C2=C(N=CC=C2)SC3=CC=CC=C3

InChI

InChI=1S/C18H21N3OS/c1-20-11-6-12-21(14-13-20)18(22)16-9-5-10-19-17(16)23-15-7-3-2-4-8-15/h2-5,7-10H,6,11-14H2,1H3