(3-methylbenzotriazol-5-yl)methyl 6-methyl-2-sulfanylidene-3,4-dihydro-1H-pyrimidine-5-carboxylate

Systemtic Name: (3-methylbenzotriazol-5-yl)methyl 6-methyl-2-sulfanylidene-3,4-dihydro-1H-pyrimidine-5-carboxylate Openeye Name: (3-methylbenzotriazol-5-yl)methyl 6-methyl-2-thioxo-3,4-dihydro-1H-pyrimidine-5-carboxylate CAS Name: 6-methyl-2-sulfanylidene-3,4-dihydro-1H-pyrimidine-5-carboxylic acid (3-methyl-5-benzotriazolyl)methyl ester IUPAC Name: (3-methylbenzotriazol-5-yl)methyl 6-methyl-2-sulfanylidene-3,4-dihydro-1H-pyrimidine-5-carboxylate Traditional Name: 6-methyl-2-thioxo-3,4-dihydro-1H-pyrimidine-5-carboxylic acid (3-methylbenzotriazol-5-yl)methyl ester Formula: C14H15N5O2S MolecularWeight: 317.3662

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(CNC(=S)N1)C(=O)OCC2=CC3=C(C=C2)N=NN3C

Isomeric SMILES

CC1=C(CNC(=S)N1)C(=O)OCC2=CC3=C(C=C2)N=NN3C

InChI

InChI=1S/C14H15N5O2S/c1-8-10(6-15-14(22)16-8)13(20)21-7-9-3-4-11-12(5-9)19(2)18-17-11/h3-5H,6-7H2,1-2H3,(H2,15,16,22)