2-[(4-azanyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)sulfanyl]-N-[(2,4-dimethylphenyl)carbamoyl]ethanamide

Systemtic Name: 2-[(4-azanyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)sulfanyl]-N-[(2,4-dimethylphenyl)carbamoyl]ethanamide Openeye Name: 2-[[4-amino-5-(2-thienyl)-1,2,4-triazol-3-yl]sulfanyl]-N-[(2,4-dimethylphenyl)carbamoyl]acetamide CAS Name: 2-[(4-amino-5-thiophen-2-yl-1,2,4-triazol-3-yl)thio]-N-[(2,4-dimethylanilino)-oxomethyl]acetamide IUPAC Name: 2-[(4-amino-5-thiophen-2-yl-1,2,4-triazol-3-yl)sulfanyl]-N-[(2,4-dimethylphenyl)carbamoyl]acetamide Traditional Name: 2-[[4-amino-5-(2-thienyl)-1,2,4-triazol-3-yl]thio]-N-[(2,4-dimethylphenyl)carbamoyl]acetamide Formula: C17H18N6O2S2 MolecularWeight: 402.49382

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)NC(=O)NC(=O)CSC2=NN=C(N2N)C3=CC=CS3)C

Isomeric SMILES

CC1=CC(=C(C=C1)NC(=O)NC(=O)CSC2=NN=C(N2N)C3=CC=CS3)C

InChI

InChI=1S/C17H18N6O2S2/c1-10-5-6-12(11(2)8-10)19-16(25)20-14(24)9-27-17-22-21-15(23(17)18)13-4-3-7-26-13/h3-8H,9,18H2,1-2H3,(H2,19,20,24,25)