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

Systemtic Name: N-(phenylmethyl)-2-[(4-prop-2-enyl-5-pyridin-2-yl-1,2,4-triazol-3-yl)sulfanyl]ethanamide Openeye Name: 2-[[4-allyl-5-(2-pyridyl)-1,2,4-triazol-3-yl]sulfanyl]-N-benzyl-acetamide CAS Name: N-(phenylmethyl)-2-[[4-prop-2-enyl-5-(2-pyridinyl)-1,2,4-triazol-3-yl]thio]acetamide IUPAC Name: N-benzyl-2-[(4-prop-2-enyl-5-pyridin-2-yl-1,2,4-triazol-3-yl)sulfanyl]acetamide Traditional Name: 2-[[4-allyl-5-(2-pyridyl)-1,2,4-triazol-3-yl]thio]-N-benzyl-acetamide Formula: C19H19N5OS MolecularWeight: 365.45206

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Descriptors Computed from Structure

Canonical SMILES:

C=CCN1C(=NN=C1SCC(=O)NCC2=CC=CC=C2)C3=CC=CC=N3

Isomeric SMILES

C=CCN1C(=NN=C1SCC(=O)NCC2=CC=CC=C2)C3=CC=CC=N3

InChI

InChI=1S/C19H19N5OS/c1-2-12-24-18(16-10-6-7-11-20-16)22-23-19(24)26-14-17(25)21-13-15-8-4-3-5-9-15/h2-11H,1,12-14H2,(H,21,25)