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

Systemtic Name: N-[(4-chlorophenyl)methyl]-2-[(4-prop-2-enyl-5-pyridin-3-yl-1,2,4-triazol-3-yl)sulfanyl]ethanamide Openeye Name: 2-[[4-allyl-5-(3-pyridyl)-1,2,4-triazol-3-yl]sulfanyl]-N-[(4-chlorophenyl)methyl]acetamide CAS Name: N-[(4-chlorophenyl)methyl]-2-[[4-prop-2-enyl-5-(3-pyridinyl)-1,2,4-triazol-3-yl]thio]acetamide IUPAC Name: N-[(4-chlorophenyl)methyl]-2-[(4-prop-2-enyl-5-pyridin-3-yl-1,2,4-triazol-3-yl)sulfanyl]acetamide Traditional Name: 2-[[4-allyl-5-(3-pyridyl)-1,2,4-triazol-3-yl]thio]-N-(4-chlorobenzyl)acetamide Formula: C19H18ClN5OS MolecularWeight: 399.89712

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H18ClN5OS/c1-2-10-25-18(15-4-3-9-21-12-15)23-24-19(25)27-13-17(26)22-11-14-5-7-16(20)8-6-14/h2-9,12H,1,10-11,13H2,(H,22,26)