N-(3-nitrophenyl)-2-[(1-prop-2-enyl-1,2,3,4-tetrazol-5-yl)sulfanyl]ethanamide

Systemtic Name: N-(3-nitrophenyl)-2-[(1-prop-2-enyl-1,2,3,4-tetrazol-5-yl)sulfanyl]ethanamide Openeye Name: 2-(1-allyltetrazol-5-yl)sulfanyl-N-(3-nitrophenyl)acetamide CAS Name: N-(3-nitrophenyl)-2-[(1-prop-2-enyl-5-tetrazolyl)thio]acetamide IUPAC Name: N-(3-nitrophenyl)-2-(1-prop-2-enyltetrazol-5-yl)sulfanylacetamide Traditional Name: 2-[(1-allyltetrazol-5-yl)thio]-N-(3-nitrophenyl)acetamide Formula: C12H12N6O3S MolecularWeight: 320.32708

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Descriptors Computed from Structure

Canonical SMILES:

C=CCN1C(=NN=N1)SCC(=O)NC2=CC(=CC=C2)[N+](=O)[O-]

Isomeric SMILES

C=CCN1C(=NN=N1)SCC(=O)NC2=CC(=CC=C2)[N+](=O)[O-]

InChI

InChI=1S/C12H12N6O3S/c1-2-6-17-12(14-15-16-17)22-8-11(19)13-9-4-3-5-10(7-9)18(20)21/h2-5,7H,1,6,8H2,(H,13,19)