3-(1,3-benzodioxol-5-yloxymethyl)-4-(4-methoxyphenyl)-5-(phenylmethylsulfanyl)-1,2,4-triazole

Systemtic Name: 3-(1,3-benzodioxol-5-yloxymethyl)-4-(4-methoxyphenyl)-5-(phenylmethylsulfanyl)-1,2,4-triazole Openeye Name: 3-(1,3-benzodioxol-5-yloxymethyl)-5-benzylsulfanyl-4-(4-methoxyphenyl)-1,2,4-triazole CAS Name: 3-(1,3-benzodioxol-5-yloxymethyl)-4-(4-methoxyphenyl)-5-(phenylmethylthio)-1,2,4-triazole IUPAC Name: 3-(1,3-benzodioxol-5-yloxymethyl)-5-benzylsulfanyl-4-(4-methoxyphenyl)-1,2,4-triazole Traditional Name: 3-(1,3-benzodioxol-5-yloxymethyl)-5-(benzylthio)-4-(4-methoxyphenyl)-1,2,4-triazole Formula: C24H21N3O4S MolecularWeight: 447.50624

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)N2C(=NN=C2SCC3=CC=CC=C3)COC4=CC5=C(C=C4)OCO5

Isomeric SMILES

COC1=CC=C(C=C1)N2C(=NN=C2SCC3=CC=CC=C3)COC4=CC5=C(C=C4)OCO5

InChI

InChI=1S/C24H21N3O4S/c1-28-19-9-7-18(8-10-19)27-23(14-29-20-11-12-21-22(13-20)31-16-30-21)25-26-24(27)32-15-17-5-3-2-4-6-17/h2-13H,14-16H2,1H3