4-[3,5-bis(chloranyl)phenyl]sulfanyl-3-(1,4-diazepan-1-ylsulfonyl)benzenecarbonitrile

Systemtic Name: 4-[3,5-bis(chloranyl)phenyl]sulfanyl-3-(1,4-diazepan-1-ylsulfonyl)benzenecarbonitrile Openeye Name: 3-(1,4-diazepan-1-ylsulfonyl)-4-(3,5-dichlorophenyl)sulfanyl-benzonitrile CAS Name: 3-(1,4-diazepan-1-ylsulfonyl)-4-[(3,5-dichlorophenyl)thio]benzonitrile IUPAC Name: 3-(1,4-diazepan-1-ylsulfonyl)-4-(3,5-dichlorophenyl)sulfanylbenzonitrile Traditional Name: 3-(1,4-diazepan-1-ylsulfonyl)-4-[(3,5-dichlorophenyl)thio]benzonitrile Formula: C18H17Cl2N3O2S2 MolecularWeight: 442.38248

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Descriptors Computed from Structure

Canonical SMILES:

C1CNCCN(C1)S(=O)(=O)C2=C(C=CC(=C2)C#N)SC3=CC(=CC(=C3)Cl)Cl

Isomeric SMILES

C1CNCCN(C1)S(=O)(=O)C2=C(C=CC(=C2)C#N)SC3=CC(=CC(=C3)Cl)Cl

InChI

InChI=1S/C18H17Cl2N3O2S2/c19-14-9-15(20)11-16(10-14)26-17-3-2-13(12-21)8-18(17)27(24,25)23-6-1-4-22-5-7-23/h2-3,8-11,22H,1,4-7H2