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

Systemtic Name: 8-[[4-methyl-5-(phenoxymethyl)-1,2,4-triazol-3-yl]sulfanyl]-5-nitro-quinoline Openeye Name: 8-[[4-methyl-5-(phenoxymethyl)-1,2,4-triazol-3-yl]sulfanyl]-5-nitro-quinoline CAS Name: 8-[[4-methyl-5-(phenoxymethyl)-1,2,4-triazol-3-yl]thio]-5-nitroquinoline IUPAC Name: 8-[[4-methyl-5-(phenoxymethyl)-1,2,4-triazol-3-yl]sulfanyl]-5-nitroquinoline Traditional Name: 8-[[4-methyl-5-(phenoxymethyl)-1,2,4-triazol-3-yl]thio]-5-nitro-quinoline Formula: C19H15N5O3S MolecularWeight: 393.4191

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=NN=C1SC2=C3C(=C(C=C2)[N+](=O)[O-])C=CC=N3)COC4=CC=CC=C4

Isomeric SMILES

CN1C(=NN=C1SC2=C3C(=C(C=C2)[N+](=O)[O-])C=CC=N3)COC4=CC=CC=C4

InChI

InChI=1S/C19H15N5O3S/c1-23-17(12-27-13-6-3-2-4-7-13)21-22-19(23)28-16-10-9-15(24(25)26)14-8-5-11-20-18(14)16/h2-11H,12H2,1H3