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

Systemtic Name: 4-[[5-(2-methoxyphenyl)-4-prop-2-enyl-1,2,4-triazol-3-yl]sulfanyl]-2-pyridin-3-yl-quinazoline Openeye Name: 4-[[4-allyl-5-(2-methoxyphenyl)-1,2,4-triazol-3-yl]sulfanyl]-2-(3-pyridyl)quinazoline CAS Name: 4-[[5-(2-methoxyphenyl)-4-prop-2-enyl-1,2,4-triazol-3-yl]thio]-2-(3-pyridinyl)quinazoline IUPAC Name: 4-[[5-(2-methoxyphenyl)-4-prop-2-enyl-1,2,4-triazol-3-yl]sulfanyl]-2-pyridin-3-ylquinazoline Traditional Name: 4-[[4-allyl-5-(2-methoxyphenyl)-1,2,4-triazol-3-yl]thio]-2-(3-pyridyl)quinazoline Formula: C25H20N6OS MolecularWeight: 452.5309

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC=C1C2=NN=C(N2CC=C)SC3=NC(=NC4=CC=CC=C43)C5=CN=CC=C5

Isomeric SMILES

COC1=CC=CC=C1C2=NN=C(N2CC=C)SC3=NC(=NC4=CC=CC=C43)C5=CN=CC=C5

InChI

InChI=1S/C25H20N6OS/c1-3-15-31-23(19-11-5-7-13-21(19)32-2)29-30-25(31)33-24-18-10-4-6-12-20(18)27-22(28-24)17-9-8-14-26-16-17/h3-14,16H,1,15H2,2H3