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

Systemtic Name: methyl 4-oxidanylidene-2-[(1-phenyl-1,2,3,4-tetrazol-5-yl)sulfanylmethyl]-1H-quinazoline-7-carboxylate Openeye Name: methyl 4-oxo-2-[(1-phenyltetrazol-5-yl)sulfanylmethyl]-1H-quinazoline-7-carboxylate CAS Name: 4-oxo-2-[[(1-phenyl-5-tetrazolyl)thio]methyl]-1H-quinazoline-7-carboxylic acid methyl ester IUPAC Name: methyl 4-oxo-2-[(1-phenyltetrazol-5-yl)sulfanylmethyl]-1H-quinazoline-7-carboxylate Traditional Name: 4-keto-2-[[(1-phenyltetrazol-5-yl)thio]methyl]-1H-quinazoline-7-carboxylic acid methyl ester Formula: C18H14N6O3S MolecularWeight: 394.40716

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC2=C(C=C1)C(=O)N=C(N2)CSC3=NN=NN3C4=CC=CC=C4

Isomeric SMILES

COC(=O)C1=CC2=C(C=C1)C(=O)N=C(N2)CSC3=NN=NN3C4=CC=CC=C4

InChI

InChI=1S/C18H14N6O3S/c1-27-17(26)11-7-8-13-14(9-11)19-15(20-16(13)25)10-28-18-21-22-23-24(18)12-5-3-2-4-6-12/h2-9H,10H2,1H3,(H,19,20,25)