N-(ethylcarbamoyl)-2-[[4-(2-methylphenyl)-5-pyridin-4-yl-1,2,4-triazol-3-yl]sulfanyl]propanamide

Systemtic Name: N-(ethylcarbamoyl)-2-[[4-(2-methylphenyl)-5-pyridin-4-yl-1,2,4-triazol-3-yl]sulfanyl]propanamide Openeye Name: N-(ethylcarbamoyl)-2-[[4-(o-tolyl)-5-(4-pyridyl)-1,2,4-triazol-3-yl]sulfanyl]propanamide CAS Name: N-(ethylcarbamoyl)-2-[[4-(2-methylphenyl)-5-pyridin-4-yl-1,2,4-triazol-3-yl]thio]propanamide IUPAC Name: N-(ethylcarbamoyl)-2-[[4-(2-methylphenyl)-5-pyridin-4-yl-1,2,4-triazol-3-yl]sulfanyl]propanamide Traditional Name: N-(ethylcarbamoyl)-2-[[4-(o-tolyl)-5-(4-pyridyl)-1,2,4-triazol-3-yl]thio]propionamide Formula: C20H22N6O2S MolecularWeight: 410.49268

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Descriptors Computed from Structure

Canonical SMILES:

CCNC(=O)NC(=O)C(C)SC1=NN=C(N1C2=CC=CC=C2C)C3=CC=NC=C3

Isomeric SMILES

CCNC(=O)NC(=O)C(C)SC1=NN=C(N1C2=CC=CC=C2C)C3=CC=NC=C3

InChI

InChI=1S/C20H22N6O2S/c1-4-22-19(28)23-18(27)14(3)29-20-25-24-17(15-9-11-21-12-10-15)26(20)16-8-6-5-7-13(16)2/h5-12,14H,4H2,1-3H3,(H2,22,23,27,28)