(2R)-N-(ethylcarbamoyl)-2-phenyl-2-[(4-prop-2-enyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanyl]ethanamide

Systemtic Name: (2R)-N-(ethylcarbamoyl)-2-phenyl-2-[(4-prop-2-enyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanyl]ethanamide Openeye Name: (2R)-2-[[4-allyl-5-(4-pyridyl)-1,2,4-triazol-3-yl]sulfanyl]-N-(ethylcarbamoyl)-2-phenyl-acetamide CAS Name: (2R)-N-(ethylcarbamoyl)-2-phenyl-2-[(4-prop-2-enyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)thio]acetamide IUPAC Name: (2R)-N-(ethylcarbamoyl)-2-phenyl-2-[(4-prop-2-enyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanyl]acetamide Traditional Name: (2R)-2-[[4-allyl-5-(4-pyridyl)-1,2,4-triazol-3-yl]thio]-N-(ethylcarbamoyl)-2-phenyl-acetamide Formula: C21H22N6O2S MolecularWeight: 422.50338

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Descriptors Computed from Structure

Canonical SMILES:

CCNC(=O)NC(=O)C(C1=CC=CC=C1)SC2=NN=C(N2CC=C)C3=CC=NC=C3

Isomeric SMILES

CCNC(=O)NC(=O)[C@@H](C1=CC=CC=C1)SC2=NN=C(N2CC=C)C3=CC=NC=C3

InChI

InChI=1S/C21H22N6O2S/c1-3-14-27-18(16-10-12-22-13-11-16)25-26-21(27)30-17(15-8-6-5-7-9-15)19(28)24-20(29)23-4-2/h3,5-13,17H,1,4,14H2,2H3,(H2,23,24,28,29)/t17-/m1/s1