ethyl 2-[(4-methylpyrazol-1-yl)carbothioylamino]-5-(phenylmethyl)thiophene-3-carboxylate

Systemtic Name: ethyl 2-[(4-methylpyrazol-1-yl)carbothioylamino]-5-(phenylmethyl)thiophene-3-carboxylate Openeye Name: ethyl 5-benzyl-2-[(4-methylpyrazole-1-carbothioyl)amino]thiophene-3-carboxylate CAS Name: 2-[[(4-methyl-1-pyrazolyl)-sulfanylidenemethyl]amino]-5-(phenylmethyl)-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 5-benzyl-2-[(4-methylpyrazole-1-carbothioyl)amino]thiophene-3-carboxylate Traditional Name: 5-benzyl-2-[(4-methylpyrazole-1-carbothioyl)amino]thiophene-3-carboxylic acid ethyl ester Formula: C19H19N3O2S2 MolecularWeight: 385.50306

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC(=C1)CC2=CC=CC=C2)NC(=S)N3C=C(C=N3)C

Isomeric SMILES

CCOC(=O)C1=C(SC(=C1)CC2=CC=CC=C2)NC(=S)N3C=C(C=N3)C

InChI

InChI=1S/C19H19N3O2S2/c1-3-24-18(23)16-10-15(9-14-7-5-4-6-8-14)26-17(16)21-19(25)22-12-13(2)11-20-22/h4-8,10-12H,3,9H2,1-2H3,(H,21,25)