2-[[4-azanyl-5-(naphthalen-1-ylmethyl)-1,2,4-triazol-3-yl]sulfanyl]-1-(1H-indol-3-yl)-2-phenyl-ethanone

Systemtic Name: 2-[[4-azanyl-5-(naphthalen-1-ylmethyl)-1,2,4-triazol-3-yl]sulfanyl]-1-(1H-indol-3-yl)-2-phenyl-ethanone Openeye Name: 2-[[4-amino-5-(1-naphthylmethyl)-1,2,4-triazol-3-yl]sulfanyl]-1-(1H-indol-3-yl)-2-phenyl-ethanone CAS Name: 2-[[4-amino-5-(1-naphthalenylmethyl)-1,2,4-triazol-3-yl]thio]-1-(1H-indol-3-yl)-2-phenylethanone IUPAC Name: 2-[[4-amino-5-(naphthalen-1-ylmethyl)-1,2,4-triazol-3-yl]sulfanyl]-1-(1H-indol-3-yl)-2-phenylethanone Traditional Name: 2-[[4-amino-5-(1-naphthylmethyl)-1,2,4-triazol-3-yl]thio]-1-(1H-indol-3-yl)-2-phenyl-ethanone Formula: C29H23N5OS MolecularWeight: 489.59082

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C(C(=O)C2=CNC3=CC=CC=C32)SC4=NN=C(N4N)CC5=CC=CC6=CC=CC=C65

Isomeric SMILES

C1=CC=C(C=C1)C(C(=O)C2=CNC3=CC=CC=C32)SC4=NN=C(N4N)CC5=CC=CC6=CC=CC=C65

InChI

InChI=1S/C29H23N5OS/c30-34-26(17-21-13-8-12-19-9-4-5-14-22(19)21)32-33-29(34)36-28(20-10-2-1-3-11-20)27(35)24-18-31-25-16-7-6-15-23(24)25/h1-16,18,28,31H,17,30H2