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

Systemtic Name: 1-[(5-methylpyridin-2-yl)-(4-methylthiophen-2-yl)methyl]-1,4-diazepane Openeye Name: 1-[(5-methyl-2-pyridyl)-(4-methyl-2-thienyl)methyl]-1,4-diazepane CAS Name: 1-[(5-methyl-2-pyridinyl)-(4-methyl-2-thiophenyl)methyl]-1,4-diazepane IUPAC Name: 1-[(5-methylpyridin-2-yl)-(4-methylthiophen-2-yl)methyl]-1,4-diazepane Traditional Name: 1-[(5-methyl-2-pyridyl)-(4-methyl-2-thienyl)methyl]-1,4-diazepane Formula: C17H23N3S MolecularWeight: 301.44962

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CN=C(C=C1)C(C2=CC(=CS2)C)N3CCCNCC3

Isomeric SMILES

CC1=CN=C(C=C1)C(C2=CC(=CS2)C)N3CCCNCC3

InChI

InChI=1S/C17H23N3S/c1-13-4-5-15(19-11-13)17(16-10-14(2)12-21-16)20-8-3-6-18-7-9-20/h4-5,10-12,17-18H,3,6-9H2,1-2H3