1-[5-(3-methylbutylsulfanyl)-4-phenyl-1,2,4-triazol-3-yl]benzotriazole

Systemtic Name: 1-[5-(3-methylbutylsulfanyl)-4-phenyl-1,2,4-triazol-3-yl]benzotriazole Openeye Name: 1-(5-isopentylsulfanyl-4-phenyl-1,2,4-triazol-3-yl)benzotriazole CAS Name: 1-[5-(3-methylbutylthio)-4-phenyl-1,2,4-triazol-3-yl]benzotriazole IUPAC Name: 1-[5-(3-methylbutylsulfanyl)-4-phenyl-1,2,4-triazol-3-yl]benzotriazole Traditional Name: 1-[5-(isoamylthio)-4-phenyl-1,2,4-triazol-3-yl]benzotriazole Formula: C19H20N6S MolecularWeight: 364.4673

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCSC1=NN=C(N1C2=CC=CC=C2)N3C4=CC=CC=C4N=N3

Isomeric SMILES

CC(C)CCSC1=NN=C(N1C2=CC=CC=C2)N3C4=CC=CC=C4N=N3

InChI

InChI=1S/C19H20N6S/c1-14(2)12-13-26-19-22-21-18(24(19)15-8-4-3-5-9-15)25-17-11-7-6-10-16(17)20-23-25/h3-11,14H,12-13H2,1-2H3