1-[(5-methylsulfanylthiophen-2-yl)methyl]-4-(pyridin-3-ylmethyl)-1,4-diazepane

Systemtic Name: 1-[(5-methylsulfanylthiophen-2-yl)methyl]-4-(pyridin-3-ylmethyl)-1,4-diazepane Openeye Name: 1-[(5-methylsulfanyl-2-thienyl)methyl]-4-(3-pyridylmethyl)-1,4-diazepane CAS Name: 1-[[5-(methylthio)-2-thiophenyl]methyl]-4-(3-pyridinylmethyl)-1,4-diazepane IUPAC Name: 1-[(5-methylsulfanylthiophen-2-yl)methyl]-4-(pyridin-3-ylmethyl)-1,4-diazepane Traditional Name: 1-[[5-(methylthio)-2-thienyl]methyl]-4-(3-pyridylmethyl)-1,4-diazepane Formula: C17H23N3S2 MolecularWeight: 333.51462

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=CC=C(S1)CN2CCCN(CC2)CC3=CN=CC=C3

Isomeric SMILES

CSC1=CC=C(S1)CN2CCCN(CC2)CC3=CN=CC=C3

InChI

InChI=1S/C17H23N3S2/c1-21-17-6-5-16(22-17)14-20-9-3-8-19(10-11-20)13-15-4-2-7-18-12-15/h2,4-7,12H,3,8-11,13-14H2,1H3