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

Systemtic Name: 3-(1,3-benzodioxol-5-ylmethylsulfanyl)-5-cyclopropyl-4-(phenylmethyl)-1,2,4-triazole Openeye Name: 3-(1,3-benzodioxol-5-ylmethylsulfanyl)-4-benzyl-5-cyclopropyl-1,2,4-triazole CAS Name: 3-(1,3-benzodioxol-5-ylmethylthio)-5-cyclopropyl-4-(phenylmethyl)-1,2,4-triazole IUPAC Name: 3-(1,3-benzodioxol-5-ylmethylsulfanyl)-4-benzyl-5-cyclopropyl-1,2,4-triazole Traditional Name: 4-benzyl-3-cyclopropyl-5-(piperonylthio)-1,2,4-triazole Formula: C20H19N3O2S MolecularWeight: 365.44876

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Descriptors Computed from Structure

Canonical SMILES:

C1CC1C2=NN=C(N2CC3=CC=CC=C3)SCC4=CC5=C(C=C4)OCO5

Isomeric SMILES

C1CC1C2=NN=C(N2CC3=CC=CC=C3)SCC4=CC5=C(C=C4)OCO5

InChI

InChI=1S/C20H19N3O2S/c1-2-4-14(5-3-1)11-23-19(16-7-8-16)21-22-20(23)26-12-15-6-9-17-18(10-15)25-13-24-17/h1-6,9-10,16H,7-8,11-13H2