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

Systemtic Name: N-(4-chloranyl-3-nitro-phenyl)-2-[(5-methyl-4-prop-2-enyl-1,2,4-triazol-3-yl)sulfanyl]ethanamide Openeye Name: 2-[(4-allyl-5-methyl-1,2,4-triazol-3-yl)sulfanyl]-N-(4-chloro-3-nitro-phenyl)acetamide CAS Name: N-(4-chloro-3-nitrophenyl)-2-[(5-methyl-4-prop-2-enyl-1,2,4-triazol-3-yl)thio]acetamide IUPAC Name: N-(4-chloro-3-nitrophenyl)-2-[(5-methyl-4-prop-2-enyl-1,2,4-triazol-3-yl)sulfanyl]acetamide Traditional Name: 2-[(4-allyl-5-methyl-1,2,4-triazol-3-yl)thio]-N-(4-chloro-3-nitro-phenyl)acetamide Formula: C14H14ClN5O3S MolecularWeight: 367.81066

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=NN=C(N1CC=C)SCC(=O)NC2=CC(=C(C=C2)Cl)[N+](=O)[O-]

Isomeric SMILES

CC1=NN=C(N1CC=C)SCC(=O)NC2=CC(=C(C=C2)Cl)[N+](=O)[O-]

InChI

InChI=1S/C14H14ClN5O3S/c1-3-6-19-9(2)17-18-14(19)24-8-13(21)16-10-4-5-11(15)12(7-10)20(22)23/h3-5,7H,1,6,8H2,2H3,(H,16,21)