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

Systemtic Name: methyl 2-[[4-cyclohexyl-5-(thiophen-2-ylmethyl)-1,2,4-triazol-3-yl]sulfanylmethyl]-4-oxidanylidene-1H-quinazoline-7-carboxylate Openeye Name: methyl 2-[[4-cyclohexyl-5-(2-thienylmethyl)-1,2,4-triazol-3-yl]sulfanylmethyl]-4-oxo-1H-quinazoline-7-carboxylate CAS Name: 2-[[[4-cyclohexyl-5-(thiophen-2-ylmethyl)-1,2,4-triazol-3-yl]thio]methyl]-4-oxo-1H-quinazoline-7-carboxylic acid methyl ester IUPAC Name: methyl 2-[[4-cyclohexyl-5-(thiophen-2-ylmethyl)-1,2,4-triazol-3-yl]sulfanylmethyl]-4-oxo-1H-quinazoline-7-carboxylate Traditional Name: 2-[[[4-cyclohexyl-5-(2-thenyl)-1,2,4-triazol-3-yl]thio]methyl]-4-keto-1H-quinazoline-7-carboxylic acid methyl ester Formula: C24H25N5O3S2 MolecularWeight: 495.617

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC2=C(C=C1)C(=O)N=C(N2)CSC3=NN=C(N3C4CCCCC4)CC5=CC=CS5

Isomeric SMILES

COC(=O)C1=CC2=C(C=C1)C(=O)N=C(N2)CSC3=NN=C(N3C4CCCCC4)CC5=CC=CS5

InChI

InChI=1S/C24H25N5O3S2/c1-32-23(31)15-9-10-18-19(12-15)25-20(26-22(18)30)14-34-24-28-27-21(13-17-8-5-11-33-17)29(24)16-6-3-2-4-7-16/h5,8-12,16H,2-4,6-7,13-14H2,1H3,(H,25,26,30)