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

Systemtic Name: 1-[(5-methylsulfanylthiophen-2-yl)methyl]-4-(pyridin-2-ylmethyl)-1,4-diazepane Openeye Name: 1-[(5-methylsulfanyl-2-thienyl)methyl]-4-(2-pyridylmethyl)-1,4-diazepane CAS Name: 1-[[5-(methylthio)-2-thiophenyl]methyl]-4-(2-pyridinylmethyl)-1,4-diazepane IUPAC Name: 1-[(5-methylsulfanylthiophen-2-yl)methyl]-4-(pyridin-2-ylmethyl)-1,4-diazepane Traditional Name: 1-[[5-(methylthio)-2-thienyl]methyl]-4-(2-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=CC=CC=N3

Isomeric SMILES

CSC1=CC=C(S1)CN2CCCN(CC2)CC3=CC=CC=N3

InChI

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