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

Systemtic Name: ethyl 2-azanyl-5-(methylcarbamoyl)-4-[(5-methyl-4-prop-2-enyl-1,2,4-triazol-3-yl)sulfanylmethyl]thiophene-3-carboxylate Openeye Name: ethyl 4-[(4-allyl-5-methyl-1,2,4-triazol-3-yl)sulfanylmethyl]-2-amino-5-(methylcarbamoyl)thiophene-3-carboxylate CAS Name: 2-amino-5-(methylcarbamoyl)-4-[[(5-methyl-4-prop-2-enyl-1,2,4-triazol-3-yl)thio]methyl]-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 2-amino-5-(methylcarbamoyl)-4-[(5-methyl-4-prop-2-enyl-1,2,4-triazol-3-yl)sulfanylmethyl]thiophene-3-carboxylate Traditional Name: 4-[[(4-allyl-5-methyl-1,2,4-triazol-3-yl)thio]methyl]-2-amino-5-(methylcarbamoyl)thiophene-3-carboxylic acid ethyl ester Formula: C16H21N5O3S2 MolecularWeight: 395.49964

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC(=C1CSC2=NN=C(N2CC=C)C)C(=O)NC)N

Isomeric SMILES

CCOC(=O)C1=C(SC(=C1CSC2=NN=C(N2CC=C)C)C(=O)NC)N

InChI

InChI=1S/C16H21N5O3S2/c1-5-7-21-9(3)19-20-16(21)25-8-10-11(15(23)24-6-2)13(17)26-12(10)14(22)18-4/h5H,1,6-8,17H2,2-4H3,(H,18,22)