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

Systemtic Name: methyl 3-[2-[(4-prop-2-enyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)sulfanyl]ethanoylamino]thiophene-2-carboxylate Openeye Name: methyl 3-[[2-[[4-allyl-5-(2-thienyl)-1,2,4-triazol-3-yl]sulfanyl]acetyl]amino]thiophene-2-carboxylate CAS Name: 3-[[1-oxo-2-[(4-prop-2-enyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)thio]ethyl]amino]-2-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 3-[[2-[(4-prop-2-enyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)sulfanyl]acetyl]amino]thiophene-2-carboxylate Traditional Name: 3-[[2-[[4-allyl-5-(2-thienyl)-1,2,4-triazol-3-yl]thio]acetyl]amino]thiophene-2-carboxylic acid methyl ester Formula: C17H16N4O3S3 MolecularWeight: 420.52894

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=C(C=CS1)NC(=O)CSC2=NN=C(N2CC=C)C3=CC=CS3

Isomeric SMILES

COC(=O)C1=C(C=CS1)NC(=O)CSC2=NN=C(N2CC=C)C3=CC=CS3

InChI

InChI=1S/C17H16N4O3S3/c1-3-7-21-15(12-5-4-8-25-12)19-20-17(21)27-10-13(22)18-11-6-9-26-14(11)16(23)24-2/h3-6,8-9H,1,7,10H2,2H3,(H,18,22)