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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCSC1=NN=C(N1C2=CC=C(C=C2)N)CC3=CC=CC=C3

Isomeric SMILES

CCCCCCCCSC1=NN=C(N1C2=CC=C(C=C2)N)CC3=CC=CC=C3

InChI

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