methyl 3-[(4-azanyl-5-methyl-1,2,4-triazol-3-yl)sulfanylmethyl]-4-ethoxy-benzoate

Systemtic Name: methyl 3-[(4-azanyl-5-methyl-1,2,4-triazol-3-yl)sulfanylmethyl]-4-ethoxy-benzoate Openeye Name: methyl 3-[(4-amino-5-methyl-1,2,4-triazol-3-yl)sulfanylmethyl]-4-ethoxy-benzoate CAS Name: 3-[[(4-amino-5-methyl-1,2,4-triazol-3-yl)thio]methyl]-4-ethoxybenzoic acid methyl ester IUPAC Name: methyl 3-[(4-amino-5-methyl-1,2,4-triazol-3-yl)sulfanylmethyl]-4-ethoxybenzoate Traditional Name: 3-[[(4-amino-5-methyl-1,2,4-triazol-3-yl)thio]methyl]-4-ethoxy-benzoic acid methyl ester Formula: C14H18N4O3S MolecularWeight: 322.38272

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C=C1)C(=O)OC)CSC2=NN=C(N2N)C

Isomeric SMILES

CCOC1=C(C=C(C=C1)C(=O)OC)CSC2=NN=C(N2N)C

InChI

InChI=1S/C14H18N4O3S/c1-4-21-12-6-5-10(13(19)20-3)7-11(12)8-22-14-17-16-9(2)18(14)15/h5-7H,4,8,15H2,1-3H3