methyl 2-[(1,3-diphenylpyrazol-4-yl)methylcarbamothioylamino]-5-methyl-thiophene-3-carboxylate

Systemtic Name: methyl 2-[(1,3-diphenylpyrazol-4-yl)methylcarbamothioylamino]-5-methyl-thiophene-3-carboxylate Openeye Name: methyl 2-[(1,3-diphenylpyrazol-4-yl)methylcarbamothioylamino]-5-methyl-thiophene-3-carboxylate CAS Name: 2-[[[(1,3-diphenyl-4-pyrazolyl)methylamino]-sulfanylidenemethyl]amino]-5-methyl-3-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 2-[(1,3-diphenylpyrazol-4-yl)methylcarbamothioylamino]-5-methylthiophene-3-carboxylate Traditional Name: 2-[(1,3-diphenylpyrazol-4-yl)methylthiocarbamoylamino]-5-methyl-thiophene-3-carboxylic acid methyl ester Formula: C24H22N4O2S2 MolecularWeight: 462.58708

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(S1)NC(=S)NCC2=CN(N=C2C3=CC=CC=C3)C4=CC=CC=C4)C(=O)OC

Isomeric SMILES

CC1=CC(=C(S1)NC(=S)NCC2=CN(N=C2C3=CC=CC=C3)C4=CC=CC=C4)C(=O)OC

InChI

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