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

Systemtic Name: N-(2-chloranyl-5-nitro-phenyl)-2-[(5-cyclopentyl-4-prop-2-enyl-1,2,4-triazol-3-yl)sulfanyl]ethanamide Openeye Name: 2-[(4-allyl-5-cyclopentyl-1,2,4-triazol-3-yl)sulfanyl]-N-(2-chloro-5-nitro-phenyl)acetamide CAS Name: N-(2-chloro-5-nitrophenyl)-2-[(5-cyclopentyl-4-prop-2-enyl-1,2,4-triazol-3-yl)thio]acetamide IUPAC Name: N-(2-chloro-5-nitrophenyl)-2-[(5-cyclopentyl-4-prop-2-enyl-1,2,4-triazol-3-yl)sulfanyl]acetamide Traditional Name: 2-[(4-allyl-5-cyclopentyl-1,2,4-triazol-3-yl)thio]-N-(2-chloro-5-nitro-phenyl)acetamide Formula: C18H20ClN5O3S MolecularWeight: 421.9011

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Descriptors Computed from Structure

Canonical SMILES:

C=CCN1C(=NN=C1SCC(=O)NC2=C(C=CC(=C2)[N+](=O)[O-])Cl)C3CCCC3

Isomeric SMILES

C=CCN1C(=NN=C1SCC(=O)NC2=C(C=CC(=C2)[N+](=O)[O-])Cl)C3CCCC3

InChI

InChI=1S/C18H20ClN5O3S/c1-2-9-23-17(12-5-3-4-6-12)21-22-18(23)28-11-16(25)20-15-10-13(24(26)27)7-8-14(15)19/h2,7-8,10,12H,1,3-6,9,11H2,(H,20,25)