4-(1,3-benzodioxol-5-ylmethyl)-3-[(4-methoxyphenyl)methylsulfanyl]-5-phenyl-1,2,4-triazole

Systemtic Name: 4-(1,3-benzodioxol-5-ylmethyl)-3-[(4-methoxyphenyl)methylsulfanyl]-5-phenyl-1,2,4-triazole Openeye Name: 4-(1,3-benzodioxol-5-ylmethyl)-3-[(4-methoxyphenyl)methylsulfanyl]-5-phenyl-1,2,4-triazole CAS Name: 4-(1,3-benzodioxol-5-ylmethyl)-3-[(4-methoxyphenyl)methylthio]-5-phenyl-1,2,4-triazole IUPAC Name: 4-(1,3-benzodioxol-5-ylmethyl)-3-[(4-methoxyphenyl)methylsulfanyl]-5-phenyl-1,2,4-triazole Traditional Name: 3-(p-anisylthio)-5-phenyl-4-piperonyl-1,2,4-triazole Formula: C24H21N3O3S MolecularWeight: 431.50684

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)CSC2=NN=C(N2CC3=CC4=C(C=C3)OCO4)C5=CC=CC=C5

Isomeric SMILES

COC1=CC=C(C=C1)CSC2=NN=C(N2CC3=CC4=C(C=C3)OCO4)C5=CC=CC=C5

InChI

InChI=1S/C24H21N3O3S/c1-28-20-10-7-17(8-11-20)15-31-24-26-25-23(19-5-3-2-4-6-19)27(24)14-18-9-12-21-22(13-18)30-16-29-21/h2-13H,14-16H2,1H3