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

Systemtic Name: [4-[(1-methylimidazol-2-yl)methyl]-1,4-diazepan-1-yl]-(2-phenylsulfanylpyridin-3-yl)methanone Openeye Name: [4-[(1-methylimidazol-2-yl)methyl]-1,4-diazepan-1-yl]-(2-phenylsulfanyl-3-pyridyl)methanone CAS Name: [4-[(1-methyl-2-imidazolyl)methyl]-1,4-diazepan-1-yl]-[2-(phenylthio)-3-pyridinyl]methanone IUPAC Name: [4-[(1-methylimidazol-2-yl)methyl]-1,4-diazepan-1-yl]-(2-phenylsulfanylpyridin-3-yl)methanone Traditional Name: [4-[(1-methylimidazol-2-yl)methyl]-1,4-diazepan-1-yl]-[2-(phenylthio)-3-pyridyl]methanone Formula: C22H25N5OS MolecularWeight: 407.5318

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=CN=C1CN2CCCN(CC2)C(=O)C3=C(N=CC=C3)SC4=CC=CC=C4

Isomeric SMILES

CN1C=CN=C1CN2CCCN(CC2)C(=O)C3=C(N=CC=C3)SC4=CC=CC=C4

InChI

InChI=1S/C22H25N5OS/c1-25-14-11-23-20(25)17-26-12-6-13-27(16-15-26)22(28)19-9-5-10-24-21(19)29-18-7-3-2-4-8-18/h2-5,7-11,14H,6,12-13,15-17H2,1H3