3-[[4-[(5-chloranylthiophen-2-yl)methyl]-5-oxidanylidene-1,4-diazepan-1-yl]methyl]benzenecarbonitrile

Systemtic Name: 3-[[4-[(5-chloranylthiophen-2-yl)methyl]-5-oxidanylidene-1,4-diazepan-1-yl]methyl]benzenecarbonitrile Openeye Name: 3-[[4-[(5-chloro-2-thienyl)methyl]-5-oxo-1,4-diazepan-1-yl]methyl]benzonitrile CAS Name: 3-[[4-[(5-chloro-2-thiophenyl)methyl]-5-oxo-1,4-diazepan-1-yl]methyl]benzonitrile IUPAC Name: 3-[[4-[(5-chlorothiophen-2-yl)methyl]-5-oxo-1,4-diazepan-1-yl]methyl]benzonitrile Traditional Name: 3-[[4-[(5-chloro-2-thienyl)methyl]-5-keto-1,4-diazepan-1-yl]methyl]benzonitrile Formula: C18H18ClN3OS MolecularWeight: 359.87302

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN(C1=O)CC2=CC=C(S2)Cl)CC3=CC=CC(=C3)C#N

Isomeric SMILES

C1CN(CCN(C1=O)CC2=CC=C(S2)Cl)CC3=CC=CC(=C3)C#N

InChI

InChI=1S/C18H18ClN3OS/c19-17-5-4-16(24-17)13-22-9-8-21(7-6-18(22)23)12-15-3-1-2-14(10-15)11-20/h1-5,10H,6-9,12-13H2