methyl 5-[2-[(5-azanyl-1H-1,2,4-triazol-3-yl)sulfanyl]ethanoyl]-2,4-dimethyl-1H-pyrrole-3-carboxylate

Systemtic Name: methyl 5-[2-[(5-azanyl-1H-1,2,4-triazol-3-yl)sulfanyl]ethanoyl]-2,4-dimethyl-1H-pyrrole-3-carboxylate Openeye Name: methyl 5-[2-[(5-amino-1H-1,2,4-triazol-3-yl)sulfanyl]acetyl]-2,4-dimethyl-1H-pyrrole-3-carboxylate CAS Name: 5-[2-[(5-amino-1H-1,2,4-triazol-3-yl)thio]-1-oxoethyl]-2,4-dimethyl-1H-pyrrole-3-carboxylic acid methyl ester IUPAC Name: methyl 5-[2-[(5-amino-1H-1,2,4-triazol-3-yl)sulfanyl]acetyl]-2,4-dimethyl-1H-pyrrole-3-carboxylate Traditional Name: 5-[2-[(5-amino-1H-1,2,4-triazol-3-yl)thio]acetyl]-2,4-dimethyl-1H-pyrrole-3-carboxylic acid methyl ester Formula: C12H15N5O3S MolecularWeight: 309.3442

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(NC(=C1C(=O)OC)C)C(=O)CSC2=NNC(=N2)N

Isomeric SMILES

CC1=C(NC(=C1C(=O)OC)C)C(=O)CSC2=NNC(=N2)N

InChI

InChI=1S/C12H15N5O3S/c1-5-8(10(19)20-3)6(2)14-9(5)7(18)4-21-12-15-11(13)16-17-12/h14H,4H2,1-3H3,(H3,13,15,16,17)