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

Systemtic Name: methyl 2-[(3,5-dimethyl-1,2,4-triazol-4-yl)carbamothioylamino]-5-methyl-thiophene-3-carboxylate Openeye Name: methyl 2-[(3,5-dimethyl-1,2,4-triazol-4-yl)carbamothioylamino]-5-methyl-thiophene-3-carboxylate CAS Name: 2-[[[(3,5-dimethyl-1,2,4-triazol-4-yl)amino]-sulfanylidenemethyl]amino]-5-methyl-3-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 2-[(3,5-dimethyl-1,2,4-triazol-4-yl)carbamothioylamino]-5-methylthiophene-3-carboxylate Traditional Name: 2-[(3,5-dimethyl-1,2,4-triazol-4-yl)thiocarbamoylamino]-5-methyl-thiophene-3-carboxylic acid methyl ester Formula: C12H15N5O2S2 MolecularWeight: 325.4098

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(S1)NC(=S)NN2C(=NN=C2C)C)C(=O)OC

Isomeric SMILES

CC1=CC(=C(S1)NC(=S)NN2C(=NN=C2C)C)C(=O)OC

InChI

InChI=1S/C12H15N5O2S2/c1-6-5-9(11(18)19-4)10(21-6)13-12(20)16-17-7(2)14-15-8(17)3/h5H,1-4H3,(H2,13,16,20)