methyl 4-oxidanylidene-2-[(4-prop-2-enyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanylmethyl]-1H-quinazoline-7-carboxylate

Systemtic Name: methyl 4-oxidanylidene-2-[(4-prop-2-enyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanylmethyl]-1H-quinazoline-7-carboxylate Openeye Name: methyl 2-[[4-allyl-5-(4-pyridyl)-1,2,4-triazol-3-yl]sulfanylmethyl]-4-oxo-1H-quinazoline-7-carboxylate CAS Name: 4-oxo-2-[[(4-prop-2-enyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)thio]methyl]-1H-quinazoline-7-carboxylic acid methyl ester IUPAC Name: methyl 4-oxo-2-[(4-prop-2-enyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanylmethyl]-1H-quinazoline-7-carboxylate Traditional Name: 2-[[[4-allyl-5-(4-pyridyl)-1,2,4-triazol-3-yl]thio]methyl]-4-keto-1H-quinazoline-7-carboxylic acid methyl ester Formula: C21H18N6O3S MolecularWeight: 434.47102

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC2=C(C=C1)C(=O)N=C(N2)CSC3=NN=C(N3CC=C)C4=CC=NC=C4

Isomeric SMILES

COC(=O)C1=CC2=C(C=C1)C(=O)N=C(N2)CSC3=NN=C(N3CC=C)C4=CC=NC=C4

InChI

InChI=1S/C21H18N6O3S/c1-3-10-27-18(13-6-8-22-9-7-13)25-26-21(27)31-12-17-23-16-11-14(20(29)30-2)4-5-15(16)19(28)24-17/h3-9,11H,1,10,12H2,2H3,(H,23,24,28)