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

Systemtic Name: N-(4-chloranyl-2-nitro-phenyl)-2-[(5-cyclopropyl-4-prop-2-enyl-1,2,4-triazol-3-yl)sulfanyl]ethanamide Openeye Name: 2-[(4-allyl-5-cyclopropyl-1,2,4-triazol-3-yl)sulfanyl]-N-(4-chloro-2-nitro-phenyl)acetamide CAS Name: N-(4-chloro-2-nitrophenyl)-2-[(5-cyclopropyl-4-prop-2-enyl-1,2,4-triazol-3-yl)thio]acetamide IUPAC Name: N-(4-chloro-2-nitrophenyl)-2-[(5-cyclopropyl-4-prop-2-enyl-1,2,4-triazol-3-yl)sulfanyl]acetamide Traditional Name: 2-[(4-allyl-5-cyclopropyl-1,2,4-triazol-3-yl)thio]-N-(4-chloro-2-nitro-phenyl)acetamide Formula: C16H16ClN5O3S MolecularWeight: 393.84794

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C=CCN1C(=NN=C1SCC(=O)NC2=C(C=C(C=C2)Cl)[N+](=O)[O-])C3CC3

Isomeric SMILES

C=CCN1C(=NN=C1SCC(=O)NC2=C(C=C(C=C2)Cl)[N+](=O)[O-])C3CC3

InChI

InChI=1S/C16H16ClN5O3S/c1-2-7-21-15(10-3-4-10)19-20-16(21)26-9-14(23)18-12-6-5-11(17)8-13(12)22(24)25/h2,5-6,8,10H,1,3-4,7,9H2,(H,18,23)