4-[[4-(3,4-dichlorophenyl)-5-pyridin-3-yl-1,2,4-triazol-3-yl]sulfanyl]quinazoline

Systemtic Name: 4-[[4-(3,4-dichlorophenyl)-5-pyridin-3-yl-1,2,4-triazol-3-yl]sulfanyl]quinazoline Openeye Name: 4-[[4-(3,4-dichlorophenyl)-5-(3-pyridyl)-1,2,4-triazol-3-yl]sulfanyl]quinazoline CAS Name: 4-[[4-(3,4-dichlorophenyl)-5-(3-pyridinyl)-1,2,4-triazol-3-yl]thio]quinazoline IUPAC Name: 4-[[4-(3,4-dichlorophenyl)-5-pyridin-3-yl-1,2,4-triazol-3-yl]sulfanyl]quinazoline Traditional Name: 4-[[4-(3,4-dichlorophenyl)-5-(3-pyridyl)-1,2,4-triazol-3-yl]thio]quinazoline Formula: C21H12Cl2N6S MolecularWeight: 451.33118

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=NC=N2)SC3=NN=C(N3C4=CC(=C(C=C4)Cl)Cl)C5=CN=CC=C5

Isomeric SMILES

C1=CC=C2C(=C1)C(=NC=N2)SC3=NN=C(N3C4=CC(=C(C=C4)Cl)Cl)C5=CN=CC=C5

InChI

InChI=1S/C21H12Cl2N6S/c22-16-8-7-14(10-17(16)23)29-19(13-4-3-9-24-11-13)27-28-21(29)30-20-15-5-1-2-6-18(15)25-12-26-20/h1-12H