2-[4-(2,4-dichlorophenyl)carbothioylpiperazin-1-yl]benzenecarbonitrile

Systemtic Name: 2-[4-(2,4-dichlorophenyl)carbothioylpiperazin-1-yl]benzenecarbonitrile Openeye Name: 2-[4-(2,4-dichlorobenzenecarbothioyl)piperazin-1-yl]benzonitrile CAS Name: 2-[4-[(2,4-dichlorophenyl)-sulfanylidenemethyl]-1-piperazinyl]benzonitrile IUPAC Name: 2-[4-(2,4-dichlorobenzenecarbothioyl)piperazin-1-yl]benzonitrile Traditional Name: 2-[4-(2,4-dichlorothiobenzoyl)piperazino]benzonitrile Formula: C18H15Cl2N3S MolecularWeight: 376.3028

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=CC=CC=C2C#N)C(=S)C3=C(C=C(C=C3)Cl)Cl

Isomeric SMILES

C1CN(CCN1C2=CC=CC=C2C#N)C(=S)C3=C(C=C(C=C3)Cl)Cl

InChI

InChI=1S/C18H15Cl2N3S/c19-14-5-6-15(16(20)11-14)18(24)23-9-7-22(8-10-23)17-4-2-1-3-13(17)12-21/h1-6,11H,7-10H2