2-[[4-(4-methoxyphenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-(4-methyl-3-nitro-phenyl)ethanamide

Systemtic Name: 2-[[4-(4-methoxyphenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-(4-methyl-3-nitro-phenyl)ethanamide Openeye Name: 2-[[4-(4-methoxyphenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-(4-methyl-3-nitro-phenyl)acetamide CAS Name: 2-[[4-(4-methoxyphenyl)-1,2,4-triazol-3-yl]thio]-N-(4-methyl-3-nitrophenyl)acetamide IUPAC Name: 2-[[4-(4-methoxyphenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-(4-methyl-3-nitrophenyl)acetamide Traditional Name: 2-[[4-(4-methoxyphenyl)-1,2,4-triazol-3-yl]thio]-N-(4-methyl-3-nitro-phenyl)acetamide Formula: C18H17N5O4S MolecularWeight: 399.42368

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)NC(=O)CSC2=NN=CN2C3=CC=C(C=C3)OC)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C=C(C=C1)NC(=O)CSC2=NN=CN2C3=CC=C(C=C3)OC)[N+](=O)[O-]

InChI

InChI=1S/C18H17N5O4S/c1-12-3-4-13(9-16(12)23(25)26)20-17(24)10-28-18-21-19-11-22(18)14-5-7-15(27-2)8-6-14/h3-9,11H,10H2,1-2H3,(H,20,24)