methyl 5-methyl-2-[(4-methylpyrazol-1-yl)carbothioylamino]-4-phenyl-thiophene-3-carboxylate

Systemtic Name: methyl 5-methyl-2-[(4-methylpyrazol-1-yl)carbothioylamino]-4-phenyl-thiophene-3-carboxylate Openeye Name: methyl 5-methyl-2-[(4-methylpyrazole-1-carbothioyl)amino]-4-phenyl-thiophene-3-carboxylate CAS Name: 5-methyl-2-[[(4-methyl-1-pyrazolyl)-sulfanylidenemethyl]amino]-4-phenyl-3-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 5-methyl-2-[(4-methylpyrazole-1-carbothioyl)amino]-4-phenylthiophene-3-carboxylate Traditional Name: 5-methyl-2-[(4-methylpyrazole-1-carbothioyl)amino]-4-phenyl-thiophene-3-carboxylic acid methyl ester Formula: C18H17N3O2S2 MolecularWeight: 371.47648

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CN(N=C1)C(=S)NC2=C(C(=C(S2)C)C3=CC=CC=C3)C(=O)OC

Isomeric SMILES

CC1=CN(N=C1)C(=S)NC2=C(C(=C(S2)C)C3=CC=CC=C3)C(=O)OC

InChI

InChI=1S/C18H17N3O2S2/c1-11-9-19-21(10-11)18(24)20-16-15(17(22)23-3)14(12(2)25-16)13-7-5-4-6-8-13/h4-10H,1-3H3,(H,20,24)