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

Systemtic Name: N-(2-chloranyl-5-nitro-phenyl)-2-[(5-propan-2-yl-4-prop-2-enyl-1,2,4-triazol-3-yl)sulfanyl]ethanamide Openeye Name: 2-[(4-allyl-5-isopropyl-1,2,4-triazol-3-yl)sulfanyl]-N-(2-chloro-5-nitro-phenyl)acetamide CAS Name: N-(2-chloro-5-nitrophenyl)-2-[(5-propan-2-yl-4-prop-2-enyl-1,2,4-triazol-3-yl)thio]acetamide IUPAC Name: N-(2-chloro-5-nitrophenyl)-2-[(5-propan-2-yl-4-prop-2-enyl-1,2,4-triazol-3-yl)sulfanyl]acetamide Traditional Name: 2-[(4-allyl-5-isopropyl-1,2,4-triazol-3-yl)thio]-N-(2-chloro-5-nitro-phenyl)acetamide Formula: C16H18ClN5O3S MolecularWeight: 395.86382

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=NN=C(N1CC=C)SCC(=O)NC2=C(C=CC(=C2)[N+](=O)[O-])Cl

Isomeric SMILES

CC(C)C1=NN=C(N1CC=C)SCC(=O)NC2=C(C=CC(=C2)[N+](=O)[O-])Cl

InChI

InChI=1S/C16H18ClN5O3S/c1-4-7-21-15(10(2)3)19-20-16(21)26-9-14(23)18-13-8-11(22(24)25)5-6-12(13)17/h4-6,8,10H,1,7,9H2,2-3H3,(H,18,23)