methyl 5-methyl-2-[2-[(4-prop-2-enyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanyl]ethanoylamino]thiophene-3-carboxylate

Systemtic Name: methyl 5-methyl-2-[2-[(4-prop-2-enyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanyl]ethanoylamino]thiophene-3-carboxylate Openeye Name: methyl 2-[[2-[[4-allyl-5-(4-pyridyl)-1,2,4-triazol-3-yl]sulfanyl]acetyl]amino]-5-methyl-thiophene-3-carboxylate CAS Name: 5-methyl-2-[[1-oxo-2-[(4-prop-2-enyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)thio]ethyl]amino]-3-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 5-methyl-2-[[2-[(4-prop-2-enyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanyl]acetyl]amino]thiophene-3-carboxylate Traditional Name: 2-[[2-[[4-allyl-5-(4-pyridyl)-1,2,4-triazol-3-yl]thio]acetyl]amino]-5-methyl-thiophene-3-carboxylic acid methyl ester Formula: C19H19N5O3S2 MolecularWeight: 429.51586

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(S1)NC(=O)CSC2=NN=C(N2CC=C)C3=CC=NC=C3)C(=O)OC

Isomeric SMILES

CC1=CC(=C(S1)NC(=O)CSC2=NN=C(N2CC=C)C3=CC=NC=C3)C(=O)OC

InChI

InChI=1S/C19H19N5O3S2/c1-4-9-24-16(13-5-7-20-8-6-13)22-23-19(24)28-11-15(25)21-17-14(18(26)27-3)10-12(2)29-17/h4-8,10H,1,9,11H2,2-3H3,(H,21,25)