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

Systemtic Name: 4-(1H-benzimidazol-2-ylmethylsulfanyl)-2-phenyl-5,6,7,8-tetrahydroquinazoline Openeye Name: 4-(1H-benzimidazol-2-ylmethylsulfanyl)-2-phenyl-5,6,7,8-tetrahydroquinazoline CAS Name: 4-(1H-benzimidazol-2-ylmethylthio)-2-phenyl-5,6,7,8-tetrahydroquinazoline IUPAC Name: 4-(1H-benzimidazol-2-ylmethylsulfanyl)-2-phenyl-5,6,7,8-tetrahydroquinazoline Traditional Name: 4-(1H-benzimidazol-2-ylmethylthio)-2-phenyl-5,6,7,8-tetrahydroquinazoline Formula: C22H20N4S MolecularWeight: 372.486

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC2=C(C1)C(=NC(=N2)C3=CC=CC=C3)SCC4=NC5=CC=CC=C5N4

Isomeric SMILES

C1CCC2=C(C1)C(=NC(=N2)C3=CC=CC=C3)SCC4=NC5=CC=CC=C5N4

InChI

InChI=1S/C22H20N4S/c1-2-8-15(9-3-1)21-25-17-11-5-4-10-16(17)22(26-21)27-14-20-23-18-12-6-7-13-19(18)24-20/h1-3,6-9,12-13H,4-5,10-11,14H2,(H,23,24)