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

Systemtic Name: ethyl 4-[2-[(4-azanyl-1,2,4-triazol-3-yl)sulfanyl]ethanoyl]-3,5-dimethyl-1H-pyrrole-2-carboxylate Openeye Name: ethyl 4-[2-[(4-amino-1,2,4-triazol-3-yl)sulfanyl]acetyl]-3,5-dimethyl-1H-pyrrole-2-carboxylate CAS Name: 4-[2-[(4-amino-1,2,4-triazol-3-yl)thio]-1-oxoethyl]-3,5-dimethyl-1H-pyrrole-2-carboxylic acid ethyl ester IUPAC Name: ethyl 4-[2-[(4-amino-1,2,4-triazol-3-yl)sulfanyl]acetyl]-3,5-dimethyl-1H-pyrrole-2-carboxylate Traditional Name: 4-[2-[(4-amino-1,2,4-triazol-3-yl)thio]acetyl]-3,5-dimethyl-1H-pyrrole-2-carboxylic acid ethyl ester Formula: C13H17N5O3S MolecularWeight: 323.37078

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C(=C(N1)C)C(=O)CSC2=NN=CN2N)C

Isomeric SMILES

CCOC(=O)C1=C(C(=C(N1)C)C(=O)CSC2=NN=CN2N)C

InChI

InChI=1S/C13H17N5O3S/c1-4-21-12(20)11-7(2)10(8(3)16-11)9(19)5-22-13-17-15-6-18(13)14/h6,16H,4-5,14H2,1-3H3