N-[[5-butylsulfanyl-4-(4-nitrophenyl)-1,2,4-triazol-3-yl]methyl]thiophene-2-carboxamide

Systemtic Name: N-[[5-butylsulfanyl-4-(4-nitrophenyl)-1,2,4-triazol-3-yl]methyl]thiophene-2-carboxamide Openeye Name: N-[[5-butylsulfanyl-4-(4-nitrophenyl)-1,2,4-triazol-3-yl]methyl]thiophene-2-carboxamide CAS Name: N-[[5-(butylthio)-4-(4-nitrophenyl)-1,2,4-triazol-3-yl]methyl]-2-thiophenecarboxamide IUPAC Name: N-[[5-butylsulfanyl-4-(4-nitrophenyl)-1,2,4-triazol-3-yl]methyl]thiophene-2-carboxamide Traditional Name: N-[[5-(butylthio)-4-(4-nitrophenyl)-1,2,4-triazol-3-yl]methyl]thiophene-2-carboxamide Formula: C18H19N5O3S2 MolecularWeight: 417.50516

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Descriptors Computed from Structure

Canonical SMILES:

CCCCSC1=NN=C(N1C2=CC=C(C=C2)[N+](=O)[O-])CNC(=O)C3=CC=CS3

Isomeric SMILES

CCCCSC1=NN=C(N1C2=CC=C(C=C2)[N+](=O)[O-])CNC(=O)C3=CC=CS3

InChI

InChI=1S/C18H19N5O3S2/c1-2-3-10-28-18-21-20-16(12-19-17(24)15-5-4-11-27-15)22(18)13-6-8-14(9-7-13)23(25)26/h4-9,11H,2-3,10,12H2,1H3,(H,19,24)