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

Systemtic Name: methyl 5-methyl-2-[[1-[(3-methylphenyl)methyl]-1,2,4-triazol-3-yl]carbamothioylamino]thiophene-3-carboxylate Openeye Name: methyl 5-methyl-2-[[1-(m-tolylmethyl)-1,2,4-triazol-3-yl]carbamothioylamino]thiophene-3-carboxylate CAS Name: 5-methyl-2-[[[[1-[(3-methylphenyl)methyl]-1,2,4-triazol-3-yl]amino]-sulfanylidenemethyl]amino]-3-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 5-methyl-2-[[1-[(3-methylphenyl)methyl]-1,2,4-triazol-3-yl]carbamothioylamino]thiophene-3-carboxylate Traditional Name: 5-methyl-2-[[1-(3-methylbenzyl)-1,2,4-triazol-3-yl]thiocarbamoylamino]thiophene-3-carboxylic acid methyl ester Formula: C18H19N5O2S2 MolecularWeight: 401.50576

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)CN2C=NC(=N2)NC(=S)NC3=C(C=C(S3)C)C(=O)OC

Isomeric SMILES

CC1=CC(=CC=C1)CN2C=NC(=N2)NC(=S)NC3=C(C=C(S3)C)C(=O)OC

InChI

InChI=1S/C18H19N5O2S2/c1-11-5-4-6-13(7-11)9-23-10-19-17(22-23)21-18(26)20-15-14(16(24)25-3)8-12(2)27-15/h4-8,10H,9H2,1-3H3,(H2,20,21,22,26)