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

Systemtic Name: 3-butylsulfanyl-4-(3,4-dimethoxyphenyl)-5-phenyl-1,2,4-triazole Openeye Name: 3-butylsulfanyl-4-(3,4-dimethoxyphenyl)-5-phenyl-1,2,4-triazole CAS Name: 3-(butylthio)-4-(3,4-dimethoxyphenyl)-5-phenyl-1,2,4-triazole IUPAC Name: 3-butylsulfanyl-4-(3,4-dimethoxyphenyl)-5-phenyl-1,2,4-triazole Traditional Name: 3-(butylthio)-4-(3,4-dimethoxyphenyl)-5-phenyl-1,2,4-triazole Formula: C20H23N3O2S MolecularWeight: 369.48052

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H23N3O2S/c1-4-5-13-26-20-22-21-19(15-9-7-6-8-10-15)23(20)16-11-12-17(24-2)18(14-16)25-3/h6-12,14H,4-5,13H2,1-3H3