4-(azepan-1-yl)-5-(4-chlorophenyl)sulfanyl-benzene-1,2-dicarbonitrile

Systemtic Name: 4-(azepan-1-yl)-5-(4-chlorophenyl)sulfanyl-benzene-1,2-dicarbonitrile Openeye Name: 4-(azepan-1-yl)-5-(4-chlorophenyl)sulfanyl-phthalonitrile CAS Name: 4-(1-azepanyl)-5-[(4-chlorophenyl)thio]benzene-1,2-dicarbonitrile IUPAC Name: 4-(azepan-1-yl)-5-(4-chlorophenyl)sulfanylbenzene-1,2-dicarbonitrile Traditional Name: 4-(azepan-1-yl)-5-[(4-chlorophenyl)thio]phthalonitrile Formula: C20H18ClN3S MolecularWeight: 367.89502

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)C2=C(C=C(C(=C2)C#N)C#N)SC3=CC=C(C=C3)Cl

Isomeric SMILES

C1CCCN(CC1)C2=C(C=C(C(=C2)C#N)C#N)SC3=CC=C(C=C3)Cl

InChI

InChI=1S/C20H18ClN3S/c21-17-5-7-18(8-6-17)25-20-12-16(14-23)15(13-22)11-19(20)24-9-3-1-2-4-10-24/h5-8,11-12H,1-4,9-10H2