1-[(3-methylpyridin-4-yl)-(4-methylthiophen-2-yl)methyl]-1,4-diazepane

Systemtic Name: 1-[(3-methylpyridin-4-yl)-(4-methylthiophen-2-yl)methyl]-1,4-diazepane Openeye Name: 1-[(3-methyl-4-pyridyl)-(4-methyl-2-thienyl)methyl]-1,4-diazepane CAS Name: 1-[(3-methyl-4-pyridinyl)-(4-methyl-2-thiophenyl)methyl]-1,4-diazepane IUPAC Name: 1-[(3-methylpyridin-4-yl)-(4-methylthiophen-2-yl)methyl]-1,4-diazepane Traditional Name: 1-[(3-methyl-4-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=CSC(=C1)C(C2=C(C=NC=C2)C)N3CCCNCC3

Isomeric SMILES

CC1=CSC(=C1)C(C2=C(C=NC=C2)C)N3CCCNCC3

InChI

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