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

Systemtic Name: 3-[[5-(naphthalen-1-ylmethyl)-4-(phenylmethyl)-1,2,4-triazol-3-yl]sulfanylmethyl]-6-nitro-1H-indole Openeye Name: 3-[[4-benzyl-5-(1-naphthylmethyl)-1,2,4-triazol-3-yl]sulfanylmethyl]-6-nitro-1H-indole CAS Name: 3-[[[5-(1-naphthalenylmethyl)-4-(phenylmethyl)-1,2,4-triazol-3-yl]thio]methyl]-6-nitro-1H-indole IUPAC Name: 3-[[4-benzyl-5-(naphthalen-1-ylmethyl)-1,2,4-triazol-3-yl]sulfanylmethyl]-6-nitro-1H-indole Traditional Name: 3-[[[4-benzyl-5-(1-naphthylmethyl)-1,2,4-triazol-3-yl]thio]methyl]-6-nitro-1H-indole Formula: C29H23N5O2S MolecularWeight: 505.59022

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CN2C(=NN=C2SCC3=CNC4=C3C=CC(=C4)[N+](=O)[O-])CC5=CC=CC6=CC=CC=C65

Isomeric SMILES

C1=CC=C(C=C1)CN2C(=NN=C2SCC3=CNC4=C3C=CC(=C4)[N+](=O)[O-])CC5=CC=CC6=CC=CC=C65

InChI

InChI=1S/C29H23N5O2S/c35-34(36)24-13-14-26-23(17-30-27(26)16-24)19-37-29-32-31-28(33(29)18-20-7-2-1-3-8-20)15-22-11-6-10-21-9-4-5-12-25(21)22/h1-14,16-17,30H,15,18-19H2