3-[4-methyl-5-[(2-nitrophenyl)methylsulfanyl]-1,2,4-triazol-3-yl]propanamide

Systemtic Name: 3-[4-methyl-5-[(2-nitrophenyl)methylsulfanyl]-1,2,4-triazol-3-yl]propanamide Openeye Name: 3-[4-methyl-5-[(2-nitrophenyl)methylsulfanyl]-1,2,4-triazol-3-yl]propanamide CAS Name: 3-[4-methyl-5-[(2-nitrophenyl)methylthio]-1,2,4-triazol-3-yl]propanamide IUPAC Name: 3-[4-methyl-5-[(2-nitrophenyl)methylsulfanyl]-1,2,4-triazol-3-yl]propanamide Traditional Name: 3-[4-methyl-5-[(2-nitrobenzyl)thio]-1,2,4-triazol-3-yl]propionamide Formula: C13H15N5O3S MolecularWeight: 321.3549

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=NN=C1SCC2=CC=CC=C2[N+](=O)[O-])CCC(=O)N

Isomeric SMILES

CN1C(=NN=C1SCC2=CC=CC=C2[N+](=O)[O-])CCC(=O)N

InChI

InChI=1S/C13H15N5O3S/c1-17-12(7-6-11(14)19)15-16-13(17)22-8-9-4-2-3-5-10(9)18(20)21/h2-5H,6-8H2,1H3,(H2,14,19)