ethyl 5-(phenylmethyl)-2-(1,2,4-triazol-4-ylcarbamothioylamino)thiophene-3-carboxylate

Systemtic Name: ethyl 5-(phenylmethyl)-2-(1,2,4-triazol-4-ylcarbamothioylamino)thiophene-3-carboxylate Openeye Name: ethyl 5-benzyl-2-(1,2,4-triazol-4-ylcarbamothioylamino)thiophene-3-carboxylate CAS Name: 5-(phenylmethyl)-2-[[sulfanylidene-(1,2,4-triazol-4-ylamino)methyl]amino]-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 5-benzyl-2-(1,2,4-triazol-4-ylcarbamothioylamino)thiophene-3-carboxylate Traditional Name: 5-benzyl-2-(1,2,4-triazol-4-ylthiocarbamoylamino)thiophene-3-carboxylic acid ethyl ester Formula: C17H17N5O2S2 MolecularWeight: 387.47918

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC(=C1)CC2=CC=CC=C2)NC(=S)NN3C=NN=C3

Isomeric SMILES

CCOC(=O)C1=C(SC(=C1)CC2=CC=CC=C2)NC(=S)NN3C=NN=C3

InChI

InChI=1S/C17H17N5O2S2/c1-2-24-16(23)14-9-13(8-12-6-4-3-5-7-12)26-15(14)20-17(25)21-22-10-18-19-11-22/h3-7,9-11H,2,8H2,1H3,(H2,20,21,25)