4-(3-octylsulfanyl-5-phenyl-1,2,4-triazol-4-yl)pyridine

Systemtic Name: 4-(3-octylsulfanyl-5-phenyl-1,2,4-triazol-4-yl)pyridine Openeye Name: 4-(3-octylsulfanyl-5-phenyl-1,2,4-triazol-4-yl)pyridine CAS Name: 4-[3-(octylthio)-5-phenyl-1,2,4-triazol-4-yl]pyridine IUPAC Name: 4-(3-octylsulfanyl-5-phenyl-1,2,4-triazol-4-yl)pyridine Traditional Name: 4-[3-(octylthio)-5-phenyl-1,2,4-triazol-4-yl]pyridine Formula: C21H26N4S MolecularWeight: 366.52294

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCSC1=NN=C(N1C2=CC=NC=C2)C3=CC=CC=C3

Isomeric SMILES

CCCCCCCCSC1=NN=C(N1C2=CC=NC=C2)C3=CC=CC=C3

InChI

InChI=1S/C21H26N4S/c1-2-3-4-5-6-10-17-26-21-24-23-20(18-11-8-7-9-12-18)25(21)19-13-15-22-16-14-19/h7-9,11-16H,2-6,10,17H2,1H3