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

Systemtic Name: 2-[[5-cyclopropyl-4-(phenylmethyl)-1,2,4-triazol-3-yl]sulfanylmethyl]-4-oxidanylidene-1H-quinazoline-7-carboxylate Openeye Name: 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-carboxylate IUPAC Name: 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-carboxylate Formula: C22H18N5O3S- MolecularWeight: 432.47502

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Descriptors Computed from Structure

Canonical SMILES:

C1CC1C2=NN=C(N2CC3=CC=CC=C3)SCC4=NC(=O)C5=C(N4)C=C(C=C5)C(=O)[O-]

Isomeric SMILES

C1CC1C2=NN=C(N2CC3=CC=CC=C3)SCC4=NC(=O)C5=C(N4)C=C(C=C5)C(=O)[O-]

InChI

InChI=1S/C22H19N5O3S/c28-20-16-9-8-15(21(29)30)10-17(16)23-18(24-20)12-31-22-26-25-19(14-6-7-14)27(22)11-13-4-2-1-3-5-13/h1-5,8-10,14H,6-7,11-12H2,(H,29,30)(H,23,24,28)/p-1