methyl 4,5-dimethyl-2-[[1-[(2-methylphenyl)methyl]pyrazol-3-yl]carbamothioylamino]thiophene-3-carboxylate

Systemtic Name: methyl 4,5-dimethyl-2-[[1-[(2-methylphenyl)methyl]pyrazol-3-yl]carbamothioylamino]thiophene-3-carboxylate Openeye Name: methyl 4,5-dimethyl-2-[[1-(o-tolylmethyl)pyrazol-3-yl]carbamothioylamino]thiophene-3-carboxylate CAS Name: 4,5-dimethyl-2-[[[[1-[(2-methylphenyl)methyl]-3-pyrazolyl]amino]-sulfanylidenemethyl]amino]-3-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 4,5-dimethyl-2-[[1-[(2-methylphenyl)methyl]pyrazol-3-yl]carbamothioylamino]thiophene-3-carboxylate Traditional Name: 4,5-dimethyl-2-[[1-(2-methylbenzyl)pyrazol-3-yl]thiocarbamoylamino]thiophene-3-carboxylic acid methyl ester Formula: C20H22N4O2S2 MolecularWeight: 414.54428

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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)C(=O)OC

Isomeric SMILES

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

InChI

InChI=1S/C20H22N4O2S2/c1-12-7-5-6-8-15(12)11-24-10-9-16(23-24)21-20(27)22-18-17(19(25)26-4)13(2)14(3)28-18/h5-10H,11H2,1-4H3,(H2,21,22,23,27)