benzenethiol; 2-[[4-(3-chloranylpropylsulfanyl)-3-methyl-pyridin-2-yl]methylsulfanyl]-1H-benzimidazole

Systemtic Name: benzenethiol; 2-[[4-(3-chloranylpropylsulfanyl)-3-methyl-pyridin-2-yl]methylsulfanyl]-1H-benzimidazole Openeye Name: benzenethiol; 2-[[4-(3-chloropropylsulfanyl)-3-methyl-2-pyridyl]methylsulfanyl]-1H-benzimidazole CAS Name: benzenethiol; 2-[[4-(3-chloropropylthio)-3-methyl-2-pyridinyl]methylthio]-1H-benzimidazole IUPAC Name: benzenethiol; 2-[[4-(3-chloropropylsulfanyl)-3-methylpyridin-2-yl]methylsulfanyl]-1H-benzimidazole Traditional Name: benzenethiol; 2-[[4-(3-chloropropylthio)-3-methyl-2-pyridyl]methylthio]-1H-benzimidazole Formula: C23H24ClN3S3 MolecularWeight: 474.10476

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CN=C1CSC2=NC3=CC=CC=C3N2)SCCCCl.C1=CC=C(C=C1)S

Isomeric SMILES

CC1=C(C=CN=C1CSC2=NC3=CC=CC=C3N2)SCCCCl.C1=CC=C(C=C1)S

InChI

InChI=1S/C17H18ClN3S2.C6H6S/c1-12-15(19-9-7-16(12)22-10-4-8-18)11-23-17-20-13-5-2-3-6-14(13)21-17;7-6-4-2-1-3-5-6/h2-3,5-7,9H,4,8,10-11H2,1H3,(H,20,21);1-5,7H