N-(4-nitrophenyl)-2-[(4-propan-2-yl-1,2,4-triazol-3-yl)sulfanyl]ethanamide

Systemtic Name: N-(4-nitrophenyl)-2-[(4-propan-2-yl-1,2,4-triazol-3-yl)sulfanyl]ethanamide Openeye Name: 2-[(4-isopropyl-1,2,4-triazol-3-yl)sulfanyl]-N-(4-nitrophenyl)acetamide CAS Name: N-(4-nitrophenyl)-2-[(4-propan-2-yl-1,2,4-triazol-3-yl)thio]acetamide IUPAC Name: N-(4-nitrophenyl)-2-[(4-propan-2-yl-1,2,4-triazol-3-yl)sulfanyl]acetamide Traditional Name: 2-[(4-isopropyl-1,2,4-triazol-3-yl)thio]-N-(4-nitrophenyl)acetamide Formula: C13H15N5O3S MolecularWeight: 321.3549

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)N1C=NN=C1SCC(=O)NC2=CC=C(C=C2)[N+](=O)[O-]

Isomeric SMILES

CC(C)N1C=NN=C1SCC(=O)NC2=CC=C(C=C2)[N+](=O)[O-]

InChI

InChI=1S/C13H15N5O3S/c1-9(2)17-8-14-16-13(17)22-7-12(19)15-10-3-5-11(6-4-10)18(20)21/h3-6,8-9H,7H2,1-2H3,(H,15,19)