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

Systemtic Name: 6-chloranyl-2-[[4-(2-chlorophenyl)-5-pyrrolidin-1-yl-1,2,4-triazol-3-yl]sulfanylmethyl]-1H-quinazolin-4-one Openeye Name: 6-chloro-2-[[4-(2-chlorophenyl)-5-pyrrolidin-1-yl-1,2,4-triazol-3-yl]sulfanylmethyl]-1H-quinazolin-4-one CAS Name: 6-chloro-2-[[[4-(2-chlorophenyl)-5-(1-pyrrolidinyl)-1,2,4-triazol-3-yl]thio]methyl]-1H-quinazolin-4-one IUPAC Name: 6-chloro-2-[[4-(2-chlorophenyl)-5-pyrrolidin-1-yl-1,2,4-triazol-3-yl]sulfanylmethyl]-1H-quinazolin-4-one Traditional Name: 6-chloro-2-[[[4-(2-chlorophenyl)-5-pyrrolidino-1,2,4-triazol-3-yl]thio]methyl]-1H-quinazolin-4-one Formula: C21H18Cl2N6OS MolecularWeight: 473.37822

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)C2=NN=C(N2C3=CC=CC=C3Cl)SCC4=NC(=O)C5=C(N4)C=CC(=C5)Cl

Isomeric SMILES

C1CCN(C1)C2=NN=C(N2C3=CC=CC=C3Cl)SCC4=NC(=O)C5=C(N4)C=CC(=C5)Cl

InChI

InChI=1S/C21H18Cl2N6OS/c22-13-7-8-16-14(11-13)19(30)25-18(24-16)12-31-21-27-26-20(28-9-3-4-10-28)29(21)17-6-2-1-5-15(17)23/h1-2,5-8,11H,3-4,9-10,12H2,(H,24,25,30)