2-(2-chlorophenyl)sulfanyl-4-(imidazol-1-ylmethyl)benzenecarbonitrile hydrochloride

Systemtic Name: 2-(2-chlorophenyl)sulfanyl-4-(imidazol-1-ylmethyl)benzenecarbonitrile hydrochloride Openeye Name: 2-(2-chlorophenyl)sulfanyl-4-(imidazol-1-ylmethyl)benzonitrile hydrochloride CAS Name: 2-[(2-chlorophenyl)thio]-4-(1-imidazolylmethyl)benzonitrile hydrochloride IUPAC Name: 2-(2-chlorophenyl)sulfanyl-4-(imidazol-1-ylmethyl)benzonitrile hydrochloride Traditional Name: 2-[(2-chlorophenyl)thio]-4-(imidazol-1-ylmethyl)benzonitrile hydrochloride Formula: C17H13Cl2N3S MolecularWeight: 362.27622

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)SC2=C(C=CC(=C2)CN3C=CN=C3)C#N)Cl.Cl

Isomeric SMILES

C1=CC=C(C(=C1)SC2=C(C=CC(=C2)CN3C=CN=C3)C#N)Cl.Cl

InChI

InChI=1S/C17H12ClN3S.ClH/c18-15-3-1-2-4-16(15)22-17-9-13(5-6-14(17)10-19)11-21-8-7-20-12-21;/h1-9,12H,11H2;1H