8-[(5-nitro-2-prop-2-enyl-1,2,4-triazol-3-yl)sulfanyl]quinoline

Systemtic Name: 8-[(5-nitro-2-prop-2-enyl-1,2,4-triazol-3-yl)sulfanyl]quinoline Openeye Name: 8-[(2-allyl-5-nitro-1,2,4-triazol-3-yl)sulfanyl]quinoline CAS Name: 8-[(5-nitro-2-prop-2-enyl-1,2,4-triazol-3-yl)thio]quinoline IUPAC Name: 8-[(5-nitro-2-prop-2-enyl-1,2,4-triazol-3-yl)sulfanyl]quinoline Traditional Name: 8-[(2-allyl-5-nitro-1,2,4-triazol-3-yl)thio]quinoline Formula: C14H11N5O2S MolecularWeight: 313.33444

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Descriptors Computed from Structure

Canonical SMILES:

C=CCN1C(=NC(=N1)[N+](=O)[O-])SC2=CC=CC3=C2N=CC=C3

Isomeric SMILES

C=CCN1C(=NC(=N1)[N+](=O)[O-])SC2=CC=CC3=C2N=CC=C3

InChI

InChI=1S/C14H11N5O2S/c1-2-9-18-14(16-13(17-18)19(20)21)22-11-7-3-5-10-6-4-8-15-12(10)11/h2-8H,1,9H2