1-(1-cyclohexa-1,3,4-trien-1-ylsulfanyl-1-phenylsulfanyl-nonyl)benzotriazole

Systemtic Name: 1-(1-cyclohexa-1,3,4-trien-1-ylsulfanyl-1-phenylsulfanyl-nonyl)benzotriazole Openeye Name: 1-(1-cyclohexa-1,3,4-trien-1-ylsulfanyl-1-phenylsulfanyl-nonyl)benzotriazole CAS Name: 1-[1-(1-cyclohexa-1,3,4-trienylthio)-1-(phenylthio)nonyl]benzotriazole IUPAC Name: 1-(1-cyclohexa-1,3,4-trien-1-ylsulfanyl-1-phenylsulfanylnonyl)benzotriazole Traditional Name: 1-[1-(cyclohexa-1,3,4-trien-1-ylthio)-1-(phenylthio)nonyl]benzotriazole Formula: C27H31N3S2 MolecularWeight: 461.68514

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCC(N1C2=CC=CC=C2N=N1)(SC3=CC=C=CC3)SC4=CC=CC=C4

Isomeric SMILES

CCCCCCCCC(N1C2=CC=CC=C2N=N1)(SC3=CC=C=CC3)SC4=CC=CC=C4

InChI

InChI=1S/C27H31N3S2/c1-2-3-4-5-6-15-22-27(31-23-16-9-7-10-17-23,32-24-18-11-8-12-19-24)30-26-21-14-13-20-25(26)28-29-30/h7,9-14,16-18,20-21H,2-6,15,19,22H2,1H3