4-(1,3-benzodioxol-5-ylmethyl)-1-methyl-5-phenylsulfanyl-imidazole

Systemtic Name: 4-(1,3-benzodioxol-5-ylmethyl)-1-methyl-5-phenylsulfanyl-imidazole Openeye Name: 4-(1,3-benzodioxol-5-ylmethyl)-1-methyl-5-phenylsulfanyl-imidazole CAS Name: 4-(1,3-benzodioxol-5-ylmethyl)-1-methyl-5-(phenylthio)imidazole IUPAC Name: 4-(1,3-benzodioxol-5-ylmethyl)-1-methyl-5-phenylsulfanylimidazole Traditional Name: 1-methyl-5-(phenylthio)-4-piperonyl-imidazole Formula: C18H16N2O2S MolecularWeight: 324.39684

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=NC(=C1SC2=CC=CC=C2)CC3=CC4=C(C=C3)OCO4

Isomeric SMILES

CN1C=NC(=C1SC2=CC=CC=C2)CC3=CC4=C(C=C3)OCO4

InChI

InChI=1S/C18H16N2O2S/c1-20-11-19-15(18(20)23-14-5-3-2-4-6-14)9-13-7-8-16-17(10-13)22-12-21-16/h2-8,10-11H,9,12H2,1H3