4-[5-octylsulfanyl-4-(phenylmethyl)-1,2,4-triazol-3-yl]aniline

Systemtic Name: 4-[5-octylsulfanyl-4-(phenylmethyl)-1,2,4-triazol-3-yl]aniline Openeye Name: 4-(4-benzyl-5-octylsulfanyl-1,2,4-triazol-3-yl)aniline CAS Name: 4-[5-(octylthio)-4-(phenylmethyl)-1,2,4-triazol-3-yl]aniline IUPAC Name: 4-(4-benzyl-5-octylsulfanyl-1,2,4-triazol-3-yl)aniline Traditional Name: [4-[4-benzyl-5-(octylthio)-1,2,4-triazol-3-yl]phenyl]amine Formula: C23H30N4S MolecularWeight: 394.5761

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCSC1=NN=C(N1CC2=CC=CC=C2)C3=CC=C(C=C3)N

Isomeric SMILES

CCCCCCCCSC1=NN=C(N1CC2=CC=CC=C2)C3=CC=C(C=C3)N

InChI

InChI=1S/C23H30N4S/c1-2-3-4-5-6-10-17-28-23-26-25-22(20-13-15-21(24)16-14-20)27(23)18-19-11-8-7-9-12-19/h7-9,11-16H,2-6,10,17-18,24H2,1H3