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

Systemtic Name: N-(2-nitrophenyl)-2-[(4-prop-2-enyl-1,2,4-triazol-3-yl)sulfanyl]ethanamide Openeye Name: 2-[(4-allyl-1,2,4-triazol-3-yl)sulfanyl]-N-(2-nitrophenyl)acetamide CAS Name: N-(2-nitrophenyl)-2-[(4-prop-2-enyl-1,2,4-triazol-3-yl)thio]acetamide IUPAC Name: N-(2-nitrophenyl)-2-[(4-prop-2-enyl-1,2,4-triazol-3-yl)sulfanyl]acetamide Traditional Name: 2-[(4-allyl-1,2,4-triazol-3-yl)thio]-N-(2-nitrophenyl)acetamide Formula: C13H13N5O3S MolecularWeight: 319.33902

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Descriptors Computed from Structure

Canonical SMILES:

C=CCN1C=NN=C1SCC(=O)NC2=CC=CC=C2[N+](=O)[O-]

Isomeric SMILES

C=CCN1C=NN=C1SCC(=O)NC2=CC=CC=C2[N+](=O)[O-]

InChI

InChI=1S/C13H13N5O3S/c1-2-7-17-9-14-16-13(17)22-8-12(19)15-10-5-3-4-6-11(10)18(20)21/h2-6,9H,1,7-8H2,(H,15,19)