methyl 4-oxidanylidene-2-(1,3,4-thiadiazol-2-ylsulfanylmethyl)-1H-quinazoline-7-carboxylate

Systemtic Name: methyl 4-oxidanylidene-2-(1,3,4-thiadiazol-2-ylsulfanylmethyl)-1H-quinazoline-7-carboxylate Openeye Name: methyl 4-oxo-2-(1,3,4-thiadiazol-2-ylsulfanylmethyl)-1H-quinazoline-7-carboxylate CAS Name: 4-oxo-2-[(1,3,4-thiadiazol-2-ylthio)methyl]-1H-quinazoline-7-carboxylic acid methyl ester IUPAC Name: methyl 4-oxo-2-(1,3,4-thiadiazol-2-ylsulfanylmethyl)-1H-quinazoline-7-carboxylate Traditional Name: 4-keto-2-[(1,3,4-thiadiazol-2-ylthio)methyl]-1H-quinazoline-7-carboxylic acid methyl ester Formula: C13H10N4O3S2 MolecularWeight: 334.3735

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC2=C(C=C1)C(=O)N=C(N2)CSC3=NN=CS3

Isomeric SMILES

COC(=O)C1=CC2=C(C=C1)C(=O)N=C(N2)CSC3=NN=CS3

InChI

InChI=1S/C13H10N4O3S2/c1-20-12(19)7-2-3-8-9(4-7)15-10(16-11(8)18)5-21-13-17-14-6-22-13/h2-4,6H,5H2,1H3,(H,15,16,18)