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

Systemtic Name: methyl 2-[[5-cyclopropyl-4-(phenylmethyl)-1,2,4-triazol-3-yl]sulfanylmethyl]-4-oxidanylidene-1H-quinazoline-7-carboxylate Openeye Name: methyl 2-[(4-benzyl-5-cyclopropyl-1,2,4-triazol-3-yl)sulfanylmethyl]-4-oxo-1H-quinazoline-7-carboxylate CAS Name: 2-[[[5-cyclopropyl-4-(phenylmethyl)-1,2,4-triazol-3-yl]thio]methyl]-4-oxo-1H-quinazoline-7-carboxylic acid methyl ester IUPAC Name: methyl 2-[(4-benzyl-5-cyclopropyl-1,2,4-triazol-3-yl)sulfanylmethyl]-4-oxo-1H-quinazoline-7-carboxylate Traditional Name: 2-[[(4-benzyl-5-cyclopropyl-1,2,4-triazol-3-yl)thio]methyl]-4-keto-1H-quinazoline-7-carboxylic acid methyl ester Formula: C23H21N5O3S MolecularWeight: 447.50954

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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(N3CC4=CC=CC=C4)C5CC5

Isomeric SMILES

COC(=O)C1=CC2=C(C=C1)C(=O)N=C(N2)CSC3=NN=C(N3CC4=CC=CC=C4)C5CC5

InChI

InChI=1S/C23H21N5O3S/c1-31-22(30)16-9-10-17-18(11-16)24-19(25-21(17)29)13-32-23-27-26-20(15-7-8-15)28(23)12-14-5-3-2-4-6-14/h2-6,9-11,15H,7-8,12-13H2,1H3,(H,24,25,29)