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

Systemtic Name: 3-[[5-(naphthalen-1-ylmethyl)-4-phenyl-1,2,4-triazol-3-yl]sulfanylmethyl]-6-nitro-1H-indole Openeye Name: 3-[[5-(1-naphthylmethyl)-4-phenyl-1,2,4-triazol-3-yl]sulfanylmethyl]-6-nitro-1H-indole CAS Name: 3-[[[5-(1-naphthalenylmethyl)-4-phenyl-1,2,4-triazol-3-yl]thio]methyl]-6-nitro-1H-indole IUPAC Name: 3-[[5-(naphthalen-1-ylmethyl)-4-phenyl-1,2,4-triazol-3-yl]sulfanylmethyl]-6-nitro-1H-indole Traditional Name: 3-[[[5-(1-naphthylmethyl)-4-phenyl-1,2,4-triazol-3-yl]thio]methyl]-6-nitro-1H-indole Formula: C28H21N5O2S MolecularWeight: 491.56364

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)N2C(=NN=C2SCC3=CNC4=C3C=CC(=C4)[N+](=O)[O-])CC5=CC=CC6=CC=CC=C65

Isomeric SMILES

C1=CC=C(C=C1)N2C(=NN=C2SCC3=CNC4=C3C=CC(=C4)[N+](=O)[O-])CC5=CC=CC6=CC=CC=C65

InChI

InChI=1S/C28H21N5O2S/c34-33(35)23-13-14-25-21(17-29-26(25)16-23)18-36-28-31-30-27(32(28)22-10-2-1-3-11-22)15-20-9-6-8-19-7-4-5-12-24(19)20/h1-14,16-17,29H,15,18H2