3-butylsulfanyl-4-phenyl-5-(3,4,5-trimethoxyphenyl)-1,2,4-triazole

Systemtic Name: 3-butylsulfanyl-4-phenyl-5-(3,4,5-trimethoxyphenyl)-1,2,4-triazole Openeye Name: 3-butylsulfanyl-4-phenyl-5-(3,4,5-trimethoxyphenyl)-1,2,4-triazole CAS Name: 3-(butylthio)-4-phenyl-5-(3,4,5-trimethoxyphenyl)-1,2,4-triazole IUPAC Name: 3-butylsulfanyl-4-phenyl-5-(3,4,5-trimethoxyphenyl)-1,2,4-triazole Traditional Name: 3-(butylthio)-4-phenyl-5-(3,4,5-trimethoxyphenyl)-1,2,4-triazole Formula: C21H25N3O3S MolecularWeight: 399.5065

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Descriptors Computed from Structure

Canonical SMILES:

CCCCSC1=NN=C(N1C2=CC=CC=C2)C3=CC(=C(C(=C3)OC)OC)OC

Isomeric SMILES

CCCCSC1=NN=C(N1C2=CC=CC=C2)C3=CC(=C(C(=C3)OC)OC)OC

InChI

InChI=1S/C21H25N3O3S/c1-5-6-12-28-21-23-22-20(24(21)16-10-8-7-9-11-16)15-13-17(25-2)19(27-4)18(14-15)26-3/h7-11,13-14H,5-6,12H2,1-4H3