2-[[4-(phenylmethyl)-5-pyridin-3-yl-1,2,4-triazol-3-yl]sulfanyl]-N-(prop-2-enylcarbamoyl)ethanamide

Systemtic Name: 2-[[4-(phenylmethyl)-5-pyridin-3-yl-1,2,4-triazol-3-yl]sulfanyl]-N-(prop-2-enylcarbamoyl)ethanamide Openeye Name: N-(allylcarbamoyl)-2-[[4-benzyl-5-(3-pyridyl)-1,2,4-triazol-3-yl]sulfanyl]acetamide CAS Name: N-[oxo-(prop-2-enylamino)methyl]-2-[[4-(phenylmethyl)-5-(3-pyridinyl)-1,2,4-triazol-3-yl]thio]acetamide IUPAC Name: 2-[(4-benzyl-5-pyridin-3-yl-1,2,4-triazol-3-yl)sulfanyl]-N-(prop-2-enylcarbamoyl)acetamide Traditional Name: N-(allylcarbamoyl)-2-[[4-benzyl-5-(3-pyridyl)-1,2,4-triazol-3-yl]thio]acetamide Formula: C20H20N6O2S MolecularWeight: 408.4768

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Descriptors Computed from Structure

Canonical SMILES:

C=CCNC(=O)NC(=O)CSC1=NN=C(N1CC2=CC=CC=C2)C3=CN=CC=C3

Isomeric SMILES

C=CCNC(=O)NC(=O)CSC1=NN=C(N1CC2=CC=CC=C2)C3=CN=CC=C3

InChI

InChI=1S/C20H20N6O2S/c1-2-10-22-19(28)23-17(27)14-29-20-25-24-18(16-9-6-11-21-12-16)26(20)13-15-7-4-3-5-8-15/h2-9,11-12H,1,10,13-14H2,(H2,22,23,27,28)