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

Systemtic Name: N-(2-oxidanylideneazepan-3-yl)-2-[(5-phenyl-4-prop-2-enyl-1,2,4-triazol-3-yl)sulfanyl]ethanamide Openeye Name: 2-[(4-allyl-5-phenyl-1,2,4-triazol-3-yl)sulfanyl]-N-(2-oxoazepan-3-yl)acetamide CAS Name: N-(2-oxo-3-azepanyl)-2-[(5-phenyl-4-prop-2-enyl-1,2,4-triazol-3-yl)thio]acetamide IUPAC Name: N-(2-oxoazepan-3-yl)-2-[(5-phenyl-4-prop-2-enyl-1,2,4-triazol-3-yl)sulfanyl]acetamide Traditional Name: 2-[(4-allyl-5-phenyl-1,2,4-triazol-3-yl)thio]-N-(2-ketoazepan-3-yl)acetamide Formula: C19H23N5O2S MolecularWeight: 385.48322

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Descriptors Computed from Structure

Canonical SMILES:

C=CCN1C(=NN=C1SCC(=O)NC2CCCCNC2=O)C3=CC=CC=C3

Isomeric SMILES

C=CCN1C(=NN=C1SCC(=O)NC2CCCCNC2=O)C3=CC=CC=C3

InChI

InChI=1S/C19H23N5O2S/c1-2-12-24-17(14-8-4-3-5-9-14)22-23-19(24)27-13-16(25)21-15-10-6-7-11-20-18(15)26/h2-5,8-9,15H,1,6-7,10-13H2,(H,20,26)(H,21,25)