1-[5-chloranyl-1-(phenylmethyl)benzimidazol-2-yl]sulfanyl-4-(4-methylphenyl)phthalazine

Systemtic Name: 1-[5-chloranyl-1-(phenylmethyl)benzimidazol-2-yl]sulfanyl-4-(4-methylphenyl)phthalazine Openeye Name: 1-(1-benzyl-5-chloro-benzimidazol-2-yl)sulfanyl-4-(p-tolyl)phthalazine CAS Name: 1-[[5-chloro-1-(phenylmethyl)-2-benzimidazolyl]thio]-4-(4-methylphenyl)phthalazine IUPAC Name: 1-(1-benzyl-5-chlorobenzimidazol-2-yl)sulfanyl-4-(4-methylphenyl)phthalazine Traditional Name: 1-[(1-benzyl-5-chloro-benzimidazol-2-yl)thio]-4-(p-tolyl)phthalazine Formula: C29H21ClN4S MolecularWeight: 493.02184

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=NN=C(C3=CC=CC=C32)SC4=NC5=C(N4CC6=CC=CC=C6)C=CC(=C5)Cl

Isomeric SMILES

CC1=CC=C(C=C1)C2=NN=C(C3=CC=CC=C32)SC4=NC5=C(N4CC6=CC=CC=C6)C=CC(=C5)Cl

InChI

InChI=1S/C29H21ClN4S/c1-19-11-13-21(14-12-19)27-23-9-5-6-10-24(23)28(33-32-27)35-29-31-25-17-22(30)15-16-26(25)34(29)18-20-7-3-2-4-8-20/h2-17H,18H2,1H3