3-[[4-methyl-5-(naphthalen-1-ylmethyl)-1,2,4-triazol-3-yl]sulfanylmethyl]-6-nitro-1H-indole

Systemtic Name: 3-[[4-methyl-5-(naphthalen-1-ylmethyl)-1,2,4-triazol-3-yl]sulfanylmethyl]-6-nitro-1H-indole Openeye Name: 3-[[4-methyl-5-(1-naphthylmethyl)-1,2,4-triazol-3-yl]sulfanylmethyl]-6-nitro-1H-indole CAS Name: 3-[[[4-methyl-5-(1-naphthalenylmethyl)-1,2,4-triazol-3-yl]thio]methyl]-6-nitro-1H-indole IUPAC Name: 3-[[4-methyl-5-(naphthalen-1-ylmethyl)-1,2,4-triazol-3-yl]sulfanylmethyl]-6-nitro-1H-indole Traditional Name: 3-[[[4-methyl-5-(1-naphthylmethyl)-1,2,4-triazol-3-yl]thio]methyl]-6-nitro-1H-indole Formula: C23H19N5O2S MolecularWeight: 429.49426

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=NN=C1SCC2=CNC3=C2C=CC(=C3)[N+](=O)[O-])CC4=CC=CC5=CC=CC=C54

Isomeric SMILES

CN1C(=NN=C1SCC2=CNC3=C2C=CC(=C3)[N+](=O)[O-])CC4=CC=CC5=CC=CC=C54

InChI

InChI=1S/C23H19N5O2S/c1-27-22(11-16-7-4-6-15-5-2-3-8-19(15)16)25-26-23(27)31-14-17-13-24-21-12-18(28(29)30)9-10-20(17)21/h2-10,12-13,24H,11,14H2,1H3