2-(1H-benzimidazol-2-ylmethylsulfanyl)-4-(4-chlorophenyl)-5,6,7,8-tetrahydroquinazoline

Systemtic Name: 2-(1H-benzimidazol-2-ylmethylsulfanyl)-4-(4-chlorophenyl)-5,6,7,8-tetrahydroquinazoline Openeye Name: 2-(1H-benzimidazol-2-ylmethylsulfanyl)-4-(4-chlorophenyl)-5,6,7,8-tetrahydroquinazoline CAS Name: 2-(1H-benzimidazol-2-ylmethylthio)-4-(4-chlorophenyl)-5,6,7,8-tetrahydroquinazoline IUPAC Name: 2-(1H-benzimidazol-2-ylmethylsulfanyl)-4-(4-chlorophenyl)-5,6,7,8-tetrahydroquinazoline Traditional Name: 2-(1H-benzimidazol-2-ylmethylthio)-4-(4-chlorophenyl)-5,6,7,8-tetrahydroquinazoline Formula: C22H19ClN4S MolecularWeight: 406.93106

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC2=NC(=NC(=C2C1)C3=CC=C(C=C3)Cl)SCC4=NC5=CC=CC=C5N4

Isomeric SMILES

C1CCC2=NC(=NC(=C2C1)C3=CC=C(C=C3)Cl)SCC4=NC5=CC=CC=C5N4

InChI

InChI=1S/C22H19ClN4S/c23-15-11-9-14(10-12-15)21-16-5-1-2-6-17(16)26-22(27-21)28-13-20-24-18-7-3-4-8-19(18)25-20/h3-4,7-12H,1-2,5-6,13H2,(H,24,25)