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

Systemtic Name: methyl 5-methyl-2-[2-[(4-methyl-5-phenethyl-1,2,4-triazol-3-yl)sulfanyl]ethanoylamino]thiophene-3-carboxylate Openeye Name: methyl 5-methyl-2-[[2-[(4-methyl-5-phenethyl-1,2,4-triazol-3-yl)sulfanyl]acetyl]amino]thiophene-3-carboxylate CAS Name: 5-methyl-2-[[2-[(4-methyl-5-phenethyl-1,2,4-triazol-3-yl)thio]-1-oxoethyl]amino]-3-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 5-methyl-2-[[2-[(4-methyl-5-phenethyl-1,2,4-triazol-3-yl)sulfanyl]acetyl]amino]thiophene-3-carboxylate Traditional Name: 5-methyl-2-[[2-[(4-methyl-5-phenethyl-1,2,4-triazol-3-yl)thio]acetyl]amino]thiophene-3-carboxylic acid methyl ester Formula: C20H22N4O3S2 MolecularWeight: 430.54368

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(S1)NC(=O)CSC2=NN=C(N2C)CCC3=CC=CC=C3)C(=O)OC

Isomeric SMILES

CC1=CC(=C(S1)NC(=O)CSC2=NN=C(N2C)CCC3=CC=CC=C3)C(=O)OC

InChI

InChI=1S/C20H22N4O3S2/c1-13-11-15(19(26)27-3)18(29-13)21-17(25)12-28-20-23-22-16(24(20)2)10-9-14-7-5-4-6-8-14/h4-8,11H,9-10,12H2,1-3H3,(H,21,25)