methyl 5-methyl-2-[[1-[(2-methylphenyl)methyl]pyrazol-3-yl]carbamothioylamino]thiophene-3-carboxylate

Systemtic Name: methyl 5-methyl-2-[[1-[(2-methylphenyl)methyl]pyrazol-3-yl]carbamothioylamino]thiophene-3-carboxylate Openeye Name: methyl 5-methyl-2-[[1-(o-tolylmethyl)pyrazol-3-yl]carbamothioylamino]thiophene-3-carboxylate CAS Name: 5-methyl-2-[[[[1-[(2-methylphenyl)methyl]-3-pyrazolyl]amino]-sulfanylidenemethyl]amino]-3-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 5-methyl-2-[[1-[(2-methylphenyl)methyl]pyrazol-3-yl]carbamothioylamino]thiophene-3-carboxylate Traditional Name: 5-methyl-2-[[1-(2-methylbenzyl)pyrazol-3-yl]thiocarbamoylamino]thiophene-3-carboxylic acid methyl ester Formula: C19H20N4O2S2 MolecularWeight: 400.5177

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1CN2C=CC(=N2)NC(=S)NC3=C(C=C(S3)C)C(=O)OC

Isomeric SMILES

CC1=CC=CC=C1CN2C=CC(=N2)NC(=S)NC3=C(C=C(S3)C)C(=O)OC

InChI

InChI=1S/C19H20N4O2S2/c1-12-6-4-5-7-14(12)11-23-9-8-16(22-23)20-19(26)21-17-15(18(24)25-3)10-13(2)27-17/h4-10H,11H2,1-3H3,(H2,20,21,22,26)