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

Systemtic Name: 7-chloranyl-2-[[4-(3-chlorophenyl)-5-pyrrolidin-1-yl-1,2,4-triazol-3-yl]sulfanylmethyl]-1H-quinazolin-4-one Openeye Name: 7-chloro-2-[[4-(3-chlorophenyl)-5-pyrrolidin-1-yl-1,2,4-triazol-3-yl]sulfanylmethyl]-1H-quinazolin-4-one CAS Name: 7-chloro-2-[[[4-(3-chlorophenyl)-5-(1-pyrrolidinyl)-1,2,4-triazol-3-yl]thio]methyl]-1H-quinazolin-4-one IUPAC Name: 7-chloro-2-[[4-(3-chlorophenyl)-5-pyrrolidin-1-yl-1,2,4-triazol-3-yl]sulfanylmethyl]-1H-quinazolin-4-one Traditional Name: 7-chloro-2-[[[4-(3-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=C3)Cl)SCC4=NC(=O)C5=C(N4)C=C(C=C5)Cl

Isomeric SMILES

C1CCN(C1)C2=NN=C(N2C3=CC(=CC=C3)Cl)SCC4=NC(=O)C5=C(N4)C=C(C=C5)Cl

InChI

InChI=1S/C21H18Cl2N6OS/c22-13-4-3-5-15(10-13)29-20(28-8-1-2-9-28)26-27-21(29)31-12-18-24-17-11-14(23)6-7-16(17)19(30)25-18/h3-7,10-11H,1-2,8-9,12H2,(H,24,25,30)