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

Systemtic Name: N-(4-chloranyl-3-nitro-phenyl)-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-(4-chloro-3-nitro-phenyl)acetamide CAS Name: N-(4-chloro-3-nitrophenyl)-2-[(5-phenyl-4-prop-2-enyl-1,2,4-triazol-3-yl)thio]acetamide IUPAC Name: N-(4-chloro-3-nitrophenyl)-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-(4-chloro-3-nitro-phenyl)acetamide Formula: C19H16ClN5O3S MolecularWeight: 429.88004

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Descriptors Computed from Structure

Canonical SMILES:

C=CCN1C(=NN=C1SCC(=O)NC2=CC(=C(C=C2)Cl)[N+](=O)[O-])C3=CC=CC=C3

Isomeric SMILES

C=CCN1C(=NN=C1SCC(=O)NC2=CC(=C(C=C2)Cl)[N+](=O)[O-])C3=CC=CC=C3

InChI

InChI=1S/C19H16ClN5O3S/c1-2-10-24-18(13-6-4-3-5-7-13)22-23-19(24)29-12-17(26)21-14-8-9-15(20)16(11-14)25(27)28/h2-9,11H,1,10,12H2,(H,21,26)