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

Systemtic Name: N-[(2,4-dimethylphenyl)carbamoyl]-2-[(5-pyridin-4-yl-1H-1,2,4-triazol-3-yl)sulfanyl]ethanamide Openeye Name: N-[(2,4-dimethylphenyl)carbamoyl]-2-[[5-(4-pyridyl)-1H-1,2,4-triazol-3-yl]sulfanyl]acetamide CAS Name: N-[(2,4-dimethylanilino)-oxomethyl]-2-[(5-pyridin-4-yl-1H-1,2,4-triazol-3-yl)thio]acetamide IUPAC Name: N-[(2,4-dimethylphenyl)carbamoyl]-2-[(5-pyridin-4-yl-1H-1,2,4-triazol-3-yl)sulfanyl]acetamide Traditional Name: N-[(2,4-dimethylphenyl)carbamoyl]-2-[[5-(4-pyridyl)-1H-1,2,4-triazol-3-yl]thio]acetamide Formula: C18H18N6O2S MolecularWeight: 382.43952

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)NC(=O)NC(=O)CSC2=NNC(=N2)C3=CC=NC=C3)C

Isomeric SMILES

CC1=CC(=C(C=C1)NC(=O)NC(=O)CSC2=NNC(=N2)C3=CC=NC=C3)C

InChI

InChI=1S/C18H18N6O2S/c1-11-3-4-14(12(2)9-11)20-17(26)21-15(25)10-27-18-22-16(23-24-18)13-5-7-19-8-6-13/h3-9H,10H2,1-2H3,(H,22,23,24)(H2,20,21,25,26)