2-(2,4-dichlorophenyl)sulfanyl-4-(imidazol-1-ylmethyl)benzenecarbonitrile hydrochloride

Systemtic Name: 2-(2,4-dichlorophenyl)sulfanyl-4-(imidazol-1-ylmethyl)benzenecarbonitrile hydrochloride Openeye Name: 2-(2,4-dichlorophenyl)sulfanyl-4-(imidazol-1-ylmethyl)benzonitrile hydrochloride CAS Name: 2-[(2,4-dichlorophenyl)thio]-4-(1-imidazolylmethyl)benzonitrile hydrochloride IUPAC Name: 2-(2,4-dichlorophenyl)sulfanyl-4-(imidazol-1-ylmethyl)benzonitrile hydrochloride Traditional Name: 2-[(2,4-dichlorophenyl)thio]-4-(imidazol-1-ylmethyl)benzonitrile hydrochloride Formula: C17H12Cl3N3S MolecularWeight: 396.72128

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C=C1CN2C=CN=C2)SC3=C(C=C(C=C3)Cl)Cl)C#N.Cl

Isomeric SMILES

C1=CC(=C(C=C1CN2C=CN=C2)SC3=C(C=C(C=C3)Cl)Cl)C#N.Cl

InChI

InChI=1S/C17H11Cl2N3S.ClH/c18-14-3-4-16(15(19)8-14)23-17-7-12(1-2-13(17)9-20)10-22-6-5-21-11-22;/h1-8,11H,10H2;1H