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

Systemtic Name: N-[(phenylmethyl)carbamoyl]-2-[(4-prop-2-enyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanyl]ethanamide Openeye Name: 2-[[4-allyl-5-(4-pyridyl)-1,2,4-triazol-3-yl]sulfanyl]-N-(benzylcarbamoyl)acetamide CAS Name: N-[oxo-[(phenylmethyl)amino]methyl]-2-[(4-prop-2-enyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)thio]acetamide IUPAC Name: N-(benzylcarbamoyl)-2-[(4-prop-2-enyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanyl]acetamide Traditional Name: 2-[[4-allyl-5-(4-pyridyl)-1,2,4-triazol-3-yl]thio]-N-(benzylcarbamoyl)acetamide Formula: C20H20N6O2S MolecularWeight: 408.4768

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Descriptors Computed from Structure

Canonical SMILES:

C=CCN1C(=NN=C1SCC(=O)NC(=O)NCC2=CC=CC=C2)C3=CC=NC=C3

Isomeric SMILES

C=CCN1C(=NN=C1SCC(=O)NC(=O)NCC2=CC=CC=C2)C3=CC=NC=C3

InChI

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