4-[[1-(4-chlorophenyl)-1,2,3,4-tetrazol-5-yl]methylsulfanyl]-2-cyclohexyl-quinazoline

Systemtic Name: 4-[[1-(4-chlorophenyl)-1,2,3,4-tetrazol-5-yl]methylsulfanyl]-2-cyclohexyl-quinazoline Openeye Name: 4-[[1-(4-chlorophenyl)tetrazol-5-yl]methylsulfanyl]-2-cyclohexyl-quinazoline CAS Name: 4-[[1-(4-chlorophenyl)-5-tetrazolyl]methylthio]-2-cyclohexylquinazoline IUPAC Name: 4-[[1-(4-chlorophenyl)tetrazol-5-yl]methylsulfanyl]-2-cyclohexylquinazoline Traditional Name: 4-[[1-(4-chlorophenyl)tetrazol-5-yl]methylthio]-2-cyclohexyl-quinazoline Formula: C22H21ClN6S MolecularWeight: 436.96034

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)C2=NC3=CC=CC=C3C(=N2)SCC4=NN=NN4C5=CC=C(C=C5)Cl

Isomeric SMILES

C1CCC(CC1)C2=NC3=CC=CC=C3C(=N2)SCC4=NN=NN4C5=CC=C(C=C5)Cl

InChI

InChI=1S/C22H21ClN6S/c23-16-10-12-17(13-11-16)29-20(26-27-28-29)14-30-22-18-8-4-5-9-19(18)24-21(25-22)15-6-2-1-3-7-15/h4-5,8-13,15H,1-3,6-7,14H2