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

Systemtic Name: methyl 4-oxidanylidene-2-[(5-thiophen-2-yl-1H-1,2,4-triazol-3-yl)sulfanylmethyl]-1H-quinazoline-7-carboxylate Openeye Name: methyl 4-oxo-2-[[5-(2-thienyl)-1H-1,2,4-triazol-3-yl]sulfanylmethyl]-1H-quinazoline-7-carboxylate CAS Name: 4-oxo-2-[[(5-thiophen-2-yl-1H-1,2,4-triazol-3-yl)thio]methyl]-1H-quinazoline-7-carboxylic acid methyl ester IUPAC Name: methyl 4-oxo-2-[(5-thiophen-2-yl-1H-1,2,4-triazol-3-yl)sulfanylmethyl]-1H-quinazoline-7-carboxylate Traditional Name: 4-keto-2-[[[5-(2-thienyl)-1H-1,2,4-triazol-3-yl]thio]methyl]-1H-quinazoline-7-carboxylic acid methyl ester Formula: C17H13N5O3S2 MolecularWeight: 399.44682

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC2=C(C=C1)C(=O)N=C(N2)CSC3=NNC(=N3)C4=CC=CS4

Isomeric SMILES

COC(=O)C1=CC2=C(C=C1)C(=O)N=C(N2)CSC3=NNC(=N3)C4=CC=CS4

InChI

InChI=1S/C17H13N5O3S2/c1-25-16(24)9-4-5-10-11(7-9)18-13(19-15(10)23)8-27-17-20-14(21-22-17)12-3-2-6-26-12/h2-7H,8H2,1H3,(H,18,19,23)(H,20,21,22)