2-[[4-(3-chlorophenyl)-5-pyrrolidin-1-yl-1,2,4-triazol-3-yl]sulfanylmethyl]-8-methyl-1H-quinazolin-4-one

Systemtic Name: 2-[[4-(3-chlorophenyl)-5-pyrrolidin-1-yl-1,2,4-triazol-3-yl]sulfanylmethyl]-8-methyl-1H-quinazolin-4-one Openeye Name: 2-[[4-(3-chlorophenyl)-5-pyrrolidin-1-yl-1,2,4-triazol-3-yl]sulfanylmethyl]-8-methyl-1H-quinazolin-4-one CAS Name: 2-[[[4-(3-chlorophenyl)-5-(1-pyrrolidinyl)-1,2,4-triazol-3-yl]thio]methyl]-8-methyl-1H-quinazolin-4-one IUPAC Name: 2-[[4-(3-chlorophenyl)-5-pyrrolidin-1-yl-1,2,4-triazol-3-yl]sulfanylmethyl]-8-methyl-1H-quinazolin-4-one Traditional Name: 2-[[[4-(3-chlorophenyl)-5-pyrrolidino-1,2,4-triazol-3-yl]thio]methyl]-8-methyl-1H-quinazolin-4-one Formula: C22H21ClN6OS MolecularWeight: 452.95974

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC2=C1NC(=NC2=O)CSC3=NN=C(N3C4=CC(=CC=C4)Cl)N5CCCC5

Isomeric SMILES

CC1=CC=CC2=C1NC(=NC2=O)CSC3=NN=C(N3C4=CC(=CC=C4)Cl)N5CCCC5

InChI

InChI=1S/C22H21ClN6OS/c1-14-6-4-9-17-19(14)24-18(25-20(17)30)13-31-22-27-26-21(28-10-2-3-11-28)29(22)16-8-5-7-15(23)12-16/h4-9,12H,2-3,10-11,13H2,1H3,(H,24,25,30)