4-(1,3-benzodioxol-5-ylmethyl)-2-bromanyl-1-methyl-5-phenylsulfanyl-imidazole

Systemtic Name: 4-(1,3-benzodioxol-5-ylmethyl)-2-bromanyl-1-methyl-5-phenylsulfanyl-imidazole Openeye Name: 4-(1,3-benzodioxol-5-ylmethyl)-2-bromo-1-methyl-5-phenylsulfanyl-imidazole CAS Name: 4-(1,3-benzodioxol-5-ylmethyl)-2-bromo-1-methyl-5-(phenylthio)imidazole IUPAC Name: 4-(1,3-benzodioxol-5-ylmethyl)-2-bromo-1-methyl-5-phenylsulfanylimidazole Traditional Name: 2-bromo-1-methyl-5-(phenylthio)-4-piperonyl-imidazole Formula: C18H15BrN2O2S MolecularWeight: 403.2929

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=C(N=C1Br)CC2=CC3=C(C=C2)OCO3)SC4=CC=CC=C4

Isomeric SMILES

CN1C(=C(N=C1Br)CC2=CC3=C(C=C2)OCO3)SC4=CC=CC=C4

InChI

InChI=1S/C18H15BrN2O2S/c1-21-17(24-13-5-3-2-4-6-13)14(20-18(21)19)9-12-7-8-15-16(10-12)23-11-22-15/h2-8,10H,9,11H2,1H3