1-[(6-methylpyridin-2-yl)methyl]-4-[(5-methylsulfanylthiophen-2-yl)methyl]-1,4-diazepane

Systemtic Name: 1-[(6-methylpyridin-2-yl)methyl]-4-[(5-methylsulfanylthiophen-2-yl)methyl]-1,4-diazepane Openeye Name: 1-[(6-methyl-2-pyridyl)methyl]-4-[(5-methylsulfanyl-2-thienyl)methyl]-1,4-diazepane CAS Name: 1-[(6-methyl-2-pyridinyl)methyl]-4-[[5-(methylthio)-2-thiophenyl]methyl]-1,4-diazepane IUPAC Name: 1-[(6-methylpyridin-2-yl)methyl]-4-[(5-methylsulfanylthiophen-2-yl)methyl]-1,4-diazepane Traditional Name: 1-[(6-methyl-2-pyridyl)methyl]-4-[[5-(methylthio)-2-thienyl]methyl]-1,4-diazepane Formula: C18H25N3S2 MolecularWeight: 347.5412

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC(=CC=C1)CN2CCCN(CC2)CC3=CC=C(S3)SC

Isomeric SMILES

CC1=NC(=CC=C1)CN2CCCN(CC2)CC3=CC=C(S3)SC

InChI

InChI=1S/C18H25N3S2/c1-15-5-3-6-16(19-15)13-20-9-4-10-21(12-11-20)14-17-7-8-18(22-2)23-17/h3,5-8H,4,9-14H2,1-2H3