5-methyl-N-(2-nitro-5-propylsulfanyl-phenyl)-2-phenyl-1,2,3-triazole-4-carboxamide

Systemtic Name: 5-methyl-N-(2-nitro-5-propylsulfanyl-phenyl)-2-phenyl-1,2,3-triazole-4-carboxamide Openeye Name: 5-methyl-N-(2-nitro-5-propylsulfanyl-phenyl)-2-phenyl-triazole-4-carboxamide CAS Name: 5-methyl-N-[2-nitro-5-(propylthio)phenyl]-2-phenyl-4-triazolecarboxamide IUPAC Name: 5-methyl-N-(2-nitro-5-propylsulfanylphenyl)-2-phenyltriazole-4-carboxamide Traditional Name: 5-methyl-N-[2-nitro-5-(propylthio)phenyl]-2-phenyl-triazole-4-carboxamide Formula: C19H19N5O3S MolecularWeight: 397.45086

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Descriptors Computed from Structure

Canonical SMILES:

CCCSC1=CC(=C(C=C1)[N+](=O)[O-])NC(=O)C2=NN(N=C2C)C3=CC=CC=C3

Isomeric SMILES

CCCSC1=CC(=C(C=C1)[N+](=O)[O-])NC(=O)C2=NN(N=C2C)C3=CC=CC=C3

InChI

InChI=1S/C19H19N5O3S/c1-3-11-28-15-9-10-17(24(26)27)16(12-15)20-19(25)18-13(2)21-23(22-18)14-7-5-4-6-8-14/h4-10,12H,3,11H2,1-2H3,(H,20,25)