N-(2-methoxy-4-nitro-phenyl)-2-[(5-propan-2-yl-1H-1,2,4-triazol-3-yl)sulfanyl]ethanamide

Systemtic Name: N-(2-methoxy-4-nitro-phenyl)-2-[(5-propan-2-yl-1H-1,2,4-triazol-3-yl)sulfanyl]ethanamide Openeye Name: 2-[(5-isopropyl-1H-1,2,4-triazol-3-yl)sulfanyl]-N-(2-methoxy-4-nitro-phenyl)acetamide CAS Name: N-(2-methoxy-4-nitrophenyl)-2-[(5-propan-2-yl-1H-1,2,4-triazol-3-yl)thio]acetamide IUPAC Name: N-(2-methoxy-4-nitrophenyl)-2-[(5-propan-2-yl-1H-1,2,4-triazol-3-yl)sulfanyl]acetamide Traditional Name: 2-[(5-isopropyl-1H-1,2,4-triazol-3-yl)thio]-N-(2-methoxy-4-nitro-phenyl)acetamide Formula: C14H17N5O4S MolecularWeight: 351.38088

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=NC(=NN1)SCC(=O)NC2=C(C=C(C=C2)[N+](=O)[O-])OC

Isomeric SMILES

CC(C)C1=NC(=NN1)SCC(=O)NC2=C(C=C(C=C2)[N+](=O)[O-])OC

InChI

InChI=1S/C14H17N5O4S/c1-8(2)13-16-14(18-17-13)24-7-12(20)15-10-5-4-9(19(21)22)6-11(10)23-3/h4-6,8H,7H2,1-3H3,(H,15,20)(H,16,17,18)