1-[(4-methylsulfanylphenyl)-thiophen-3-yl-methyl]-1,4-diazepane

Systemtic Name: 1-[(4-methylsulfanylphenyl)-thiophen-3-yl-methyl]-1,4-diazepane Openeye Name: 1-[(4-methylsulfanylphenyl)-(3-thienyl)methyl]-1,4-diazepane CAS Name: 1-[[4-(methylthio)phenyl]-(3-thiophenyl)methyl]-1,4-diazepane IUPAC Name: 1-[(4-methylsulfanylphenyl)-thiophen-3-ylmethyl]-1,4-diazepane Traditional Name: 1-[[4-(methylthio)phenyl]-(3-thienyl)methyl]-1,4-diazepane Formula: C17H22N2S2 MolecularWeight: 318.49998

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=CC=C(C=C1)C(C2=CSC=C2)N3CCCNCC3

Isomeric SMILES

CSC1=CC=C(C=C1)C(C2=CSC=C2)N3CCCNCC3

InChI

InChI=1S/C17H22N2S2/c1-20-16-5-3-14(4-6-16)17(15-7-12-21-13-15)19-10-2-8-18-9-11-19/h3-7,12-13,17-18H,2,8-11H2,1H3