3-(1,3-benzodioxol-5-ylmethylsulfanyl)-5-cyclopropyl-1-phenyl-1,2,4-triazole

Systemtic Name: 3-(1,3-benzodioxol-5-ylmethylsulfanyl)-5-cyclopropyl-1-phenyl-1,2,4-triazole Openeye Name: 3-(1,3-benzodioxol-5-ylmethylsulfanyl)-5-cyclopropyl-1-phenyl-1,2,4-triazole CAS Name: 3-(1,3-benzodioxol-5-ylmethylthio)-5-cyclopropyl-1-phenyl-1,2,4-triazole IUPAC Name: 3-(1,3-benzodioxol-5-ylmethylsulfanyl)-5-cyclopropyl-1-phenyl-1,2,4-triazole Traditional Name: 5-cyclopropyl-1-phenyl-3-(piperonylthio)-1,2,4-triazole Formula: C19H17N3O2S MolecularWeight: 351.42218

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Descriptors Computed from Structure

Canonical SMILES:

C1CC1C2=NC(=NN2C3=CC=CC=C3)SCC4=CC5=C(C=C4)OCO5

Isomeric SMILES

C1CC1C2=NC(=NN2C3=CC=CC=C3)SCC4=CC5=C(C=C4)OCO5

InChI

InChI=1S/C19H17N3O2S/c1-2-4-15(5-3-1)22-18(14-7-8-14)20-19(21-22)25-11-13-6-9-16-17(10-13)24-12-23-16/h1-6,9-10,14H,7-8,11-12H2