2-[[5-(4-nitrophenyl)-4-prop-2-enyl-1,2,4-triazol-3-yl]sulfanyl]ethanenitrile

Systemtic Name: 2-[[5-(4-nitrophenyl)-4-prop-2-enyl-1,2,4-triazol-3-yl]sulfanyl]ethanenitrile Openeye Name: 2-[[4-allyl-5-(4-nitrophenyl)-1,2,4-triazol-3-yl]sulfanyl]acetonitrile CAS Name: 2-[[5-(4-nitrophenyl)-4-prop-2-enyl-1,2,4-triazol-3-yl]thio]acetonitrile IUPAC Name: 2-[[5-(4-nitrophenyl)-4-prop-2-enyl-1,2,4-triazol-3-yl]sulfanyl]acetonitrile Traditional Name: 2-[[4-allyl-5-(4-nitrophenyl)-1,2,4-triazol-3-yl]thio]acetonitrile Formula: C13H11N5O2S MolecularWeight: 301.32374

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H11N5O2S/c1-2-8-17-12(15-16-13(17)21-9-7-14)10-3-5-11(6-4-10)18(19)20/h2-6H,1,8-9H2