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

Systemtic Name: 3-[[5-(4-nitrophenyl)-4-prop-2-enyl-1,2,4-triazol-3-yl]sulfanyl]propanenitrile Openeye Name: 3-[[4-allyl-5-(4-nitrophenyl)-1,2,4-triazol-3-yl]sulfanyl]propanenitrile CAS Name: 3-[[5-(4-nitrophenyl)-4-prop-2-enyl-1,2,4-triazol-3-yl]thio]propanenitrile IUPAC Name: 3-[[5-(4-nitrophenyl)-4-prop-2-enyl-1,2,4-triazol-3-yl]sulfanyl]propanenitrile Traditional Name: 3-[[4-allyl-5-(4-nitrophenyl)-1,2,4-triazol-3-yl]thio]propionitrile Formula: C14H13N5O2S MolecularWeight: 315.35032

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Descriptors Computed from Structure

Canonical SMILES:

C=CCN1C(=NN=C1SCCC#N)C2=CC=C(C=C2)[N+](=O)[O-]

Isomeric SMILES

C=CCN1C(=NN=C1SCCC#N)C2=CC=C(C=C2)[N+](=O)[O-]

InChI

InChI=1S/C14H13N5O2S/c1-2-9-18-13(16-17-14(18)22-10-3-8-15)11-4-6-12(7-5-11)19(20)21/h2,4-7H,1,3,9-10H2