3-(1,3-benzodioxol-5-yl)-5-(2-methoxyethylsulfanyl)-4-phenyl-1,2,4-triazole

Systemtic Name: 3-(1,3-benzodioxol-5-yl)-5-(2-methoxyethylsulfanyl)-4-phenyl-1,2,4-triazole Openeye Name: 3-(1,3-benzodioxol-5-yl)-5-(2-methoxyethylsulfanyl)-4-phenyl-1,2,4-triazole CAS Name: 3-(1,3-benzodioxol-5-yl)-5-(2-methoxyethylthio)-4-phenyl-1,2,4-triazole IUPAC Name: 3-(1,3-benzodioxol-5-yl)-5-(2-methoxyethylsulfanyl)-4-phenyl-1,2,4-triazole Traditional Name: 3-(1,3-benzodioxol-5-yl)-5-(2-methoxyethylthio)-4-phenyl-1,2,4-triazole Formula: C18H17N3O3S MolecularWeight: 355.41088

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Descriptors Computed from Structure

Canonical SMILES:

COCCSC1=NN=C(N1C2=CC=CC=C2)C3=CC4=C(C=C3)OCO4

Isomeric SMILES

COCCSC1=NN=C(N1C2=CC=CC=C2)C3=CC4=C(C=C3)OCO4

InChI

InChI=1S/C18H17N3O3S/c1-22-9-10-25-18-20-19-17(21(18)14-5-3-2-4-6-14)13-7-8-15-16(11-13)24-12-23-15/h2-8,11H,9-10,12H2,1H3