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

Systemtic Name: N-(2-methoxy-5-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-(2-methoxy-5-nitro-phenyl)acetamide CAS Name: N-(2-methoxy-5-nitrophenyl)-2-[(5-methyl-4-prop-2-enyl-1,2,4-triazol-3-yl)thio]acetamide IUPAC Name: N-(2-methoxy-5-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-(2-methoxy-5-nitro-phenyl)acetamide Formula: C15H17N5O4S MolecularWeight: 363.39158

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H17N5O4S/c1-4-7-19-10(2)17-18-15(19)25-9-14(21)16-12-8-11(20(22)23)5-6-13(12)24-3/h4-6,8H,1,7,9H2,2-3H3,(H,16,21)