ethyl 2-azanyl-5-(methylcarbamoyl)-4-[(4-propan-2-yl-1,2,4-triazol-3-yl)sulfanylmethyl]thiophene-3-carboxylate

Systemtic Name: ethyl 2-azanyl-5-(methylcarbamoyl)-4-[(4-propan-2-yl-1,2,4-triazol-3-yl)sulfanylmethyl]thiophene-3-carboxylate Openeye Name: ethyl 2-amino-4-[(4-isopropyl-1,2,4-triazol-3-yl)sulfanylmethyl]-5-(methylcarbamoyl)thiophene-3-carboxylate CAS Name: 2-amino-5-(methylcarbamoyl)-4-[[(4-propan-2-yl-1,2,4-triazol-3-yl)thio]methyl]-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 2-amino-5-(methylcarbamoyl)-4-[(4-propan-2-yl-1,2,4-triazol-3-yl)sulfanylmethyl]thiophene-3-carboxylate Traditional Name: 2-amino-4-[[(4-isopropyl-1,2,4-triazol-3-yl)thio]methyl]-5-(methylcarbamoyl)thiophene-3-carboxylic acid ethyl ester Formula: C15H21N5O3S2 MolecularWeight: 383.48894

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC(=C1CSC2=NN=CN2C(C)C)C(=O)NC)N

Isomeric SMILES

CCOC(=O)C1=C(SC(=C1CSC2=NN=CN2C(C)C)C(=O)NC)N

InChI

InChI=1S/C15H21N5O3S2/c1-5-23-14(22)10-9(11(13(21)17-4)25-12(10)16)6-24-15-19-18-7-20(15)8(2)3/h7-8H,5-6,16H2,1-4H3,(H,17,21)