4-(5-octylsulfanyl-4-pyridin-3-yl-1,2,4-triazol-3-yl)aniline

Systemtic Name: 4-(5-octylsulfanyl-4-pyridin-3-yl-1,2,4-triazol-3-yl)aniline Openeye Name: 4-[5-octylsulfanyl-4-(3-pyridyl)-1,2,4-triazol-3-yl]aniline CAS Name: 4-[5-(octylthio)-4-(3-pyridinyl)-1,2,4-triazol-3-yl]aniline IUPAC Name: 4-(5-octylsulfanyl-4-pyridin-3-yl-1,2,4-triazol-3-yl)aniline Traditional Name: [4-[5-(octylthio)-4-(3-pyridyl)-1,2,4-triazol-3-yl]phenyl]amine Formula: C21H27N5S MolecularWeight: 381.53758

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H27N5S/c1-2-3-4-5-6-7-15-27-21-25-24-20(17-10-12-18(22)13-11-17)26(21)19-9-8-14-23-16-19/h8-14,16H,2-7,15,22H2,1H3