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

Systemtic Name: methyl 2-[[1-[(2-methylphenyl)methyl]pyrazol-4-yl]carbamothioylamino]-5-phenyl-thiophene-3-carboxylate Openeye Name: methyl 2-[[1-(o-tolylmethyl)pyrazol-4-yl]carbamothioylamino]-5-phenyl-thiophene-3-carboxylate CAS Name: 2-[[[[1-[(2-methylphenyl)methyl]-4-pyrazolyl]amino]-sulfanylidenemethyl]amino]-5-phenyl-3-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 2-[[1-[(2-methylphenyl)methyl]pyrazol-4-yl]carbamothioylamino]-5-phenylthiophene-3-carboxylate Traditional Name: 2-[[1-(2-methylbenzyl)pyrazol-4-yl]thiocarbamoylamino]-5-phenyl-thiophene-3-carboxylic acid methyl ester Formula: C24H22N4O2S2 MolecularWeight: 462.58708

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1CN2C=C(C=N2)NC(=S)NC3=C(C=C(S3)C4=CC=CC=C4)C(=O)OC

Isomeric SMILES

CC1=CC=CC=C1CN2C=C(C=N2)NC(=S)NC3=C(C=C(S3)C4=CC=CC=C4)C(=O)OC

InChI

InChI=1S/C24H22N4O2S2/c1-16-8-6-7-11-18(16)14-28-15-19(13-25-28)26-24(31)27-22-20(23(29)30-2)12-21(32-22)17-9-4-3-5-10-17/h3-13,15H,14H2,1-2H3,(H2,26,27,31)