2-[(1-cyclohexyl-1,2,3,4-tetrazol-5-yl)sulfanylmethyl]-3-phenethyl-quinazolin-4-one

Systemtic Name: 2-[(1-cyclohexyl-1,2,3,4-tetrazol-5-yl)sulfanylmethyl]-3-phenethyl-quinazolin-4-one Openeye Name: 2-[(1-cyclohexyltetrazol-5-yl)sulfanylmethyl]-3-phenethyl-quinazolin-4-one CAS Name: 2-[[(1-cyclohexyl-5-tetrazolyl)thio]methyl]-3-phenethyl-4-quinazolinone IUPAC Name: 2-[(1-cyclohexyltetrazol-5-yl)sulfanylmethyl]-3-phenethylquinazolin-4-one Traditional Name: 2-[[(1-cyclohexyltetrazol-5-yl)thio]methyl]-3-phenethyl-quinazolin-4-one Formula: C24H26N6OS MolecularWeight: 446.56784

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)N2C(=NN=N2)SCC3=NC4=CC=CC=C4C(=O)N3CCC5=CC=CC=C5

Isomeric SMILES

C1CCC(CC1)N2C(=NN=N2)SCC3=NC4=CC=CC=C4C(=O)N3CCC5=CC=CC=C5

InChI

InChI=1S/C24H26N6OS/c31-23-20-13-7-8-14-21(20)25-22(29(23)16-15-18-9-3-1-4-10-18)17-32-24-26-27-28-30(24)19-11-5-2-6-12-19/h1,3-4,7-10,13-14,19H,2,5-6,11-12,15-17H2