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

Systemtic Name: 1-[(5-ethylpyridin-2-yl)-(4-methylthiophen-2-yl)methyl]-1,4-diazepane Openeye Name: 1-[(5-ethyl-2-pyridyl)-(4-methyl-2-thienyl)methyl]-1,4-diazepane CAS Name: 1-[(5-ethyl-2-pyridinyl)-(4-methyl-2-thiophenyl)methyl]-1,4-diazepane IUPAC Name: 1-[(5-ethylpyridin-2-yl)-(4-methylthiophen-2-yl)methyl]-1,4-diazepane Traditional Name: 1-[(5-ethyl-2-pyridyl)-(4-methyl-2-thienyl)methyl]-1,4-diazepane Formula: C18H25N3S MolecularWeight: 315.4762

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CN=C(C=C1)C(C2=CC(=CS2)C)N3CCCNCC3

Isomeric SMILES

CCC1=CN=C(C=C1)C(C2=CC(=CS2)C)N3CCCNCC3

InChI

InChI=1S/C18H25N3S/c1-3-15-5-6-16(20-12-15)18(17-11-14(2)13-22-17)21-9-4-7-19-8-10-21/h5-6,11-13,18-19H,3-4,7-10H2,1-2H3