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

Systemtic Name: N-(3-chloranyl-4-cyano-phenyl)-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-(3-chloro-4-cyano-phenyl)acetamide CAS Name: N-(3-chloro-4-cyanophenyl)-2-[(4-prop-2-enyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)thio]acetamide IUPAC Name: N-(3-chloro-4-cyanophenyl)-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-(3-chloro-4-cyano-phenyl)acetamide Formula: C19H15ClN6OS MolecularWeight: 410.88

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Descriptors Computed from Structure

Canonical SMILES:

C=CCN1C(=NN=C1SCC(=O)NC2=CC(=C(C=C2)C#N)Cl)C3=CC=NC=C3

Isomeric SMILES

C=CCN1C(=NN=C1SCC(=O)NC2=CC(=C(C=C2)C#N)Cl)C3=CC=NC=C3

InChI

InChI=1S/C19H15ClN6OS/c1-2-9-26-18(13-5-7-22-8-6-13)24-25-19(26)28-12-17(27)23-15-4-3-14(11-21)16(20)10-15/h2-8,10H,1,9,12H2,(H,23,27)