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

Systemtic Name: methyl 2-[(5-cyclopropyl-4-ethyl-1,2,4-triazol-3-yl)sulfanylmethyl]-4-oxidanylidene-1H-quinazoline-7-carboxylate Openeye Name: methyl 2-[(5-cyclopropyl-4-ethyl-1,2,4-triazol-3-yl)sulfanylmethyl]-4-oxo-1H-quinazoline-7-carboxylate CAS Name: 2-[[(5-cyclopropyl-4-ethyl-1,2,4-triazol-3-yl)thio]methyl]-4-oxo-1H-quinazoline-7-carboxylic acid methyl ester IUPAC Name: methyl 2-[(5-cyclopropyl-4-ethyl-1,2,4-triazol-3-yl)sulfanylmethyl]-4-oxo-1H-quinazoline-7-carboxylate Traditional Name: 2-[[(5-cyclopropyl-4-ethyl-1,2,4-triazol-3-yl)thio]methyl]-4-keto-1H-quinazoline-7-carboxylic acid methyl ester Formula: C18H19N5O3S MolecularWeight: 385.44016

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=NN=C1SCC2=NC(=O)C3=C(N2)C=C(C=C3)C(=O)OC)C4CC4

Isomeric SMILES

CCN1C(=NN=C1SCC2=NC(=O)C3=C(N2)C=C(C=C3)C(=O)OC)C4CC4

InChI

InChI=1S/C18H19N5O3S/c1-3-23-15(10-4-5-10)21-22-18(23)27-9-14-19-13-8-11(17(25)26-2)6-7-12(13)16(24)20-14/h6-8,10H,3-5,9H2,1-2H3,(H,19,20,24)