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

Systemtic Name: 3-cyclopropyl-5-(2,3-dihydro-1,4-benzodioxin-3-ylmethylsulfanyl)-4-(phenylmethyl)-1,2,4-triazole Openeye Name: 4-benzyl-3-cyclopropyl-5-(2,3-dihydro-1,4-benzodioxin-3-ylmethylsulfanyl)-1,2,4-triazole CAS Name: 3-cyclopropyl-5-(2,3-dihydro-1,4-benzodioxin-3-ylmethylthio)-4-(phenylmethyl)-1,2,4-triazole IUPAC Name: 4-benzyl-3-cyclopropyl-5-(2,3-dihydro-1,4-benzodioxin-3-ylmethylsulfanyl)-1,2,4-triazole Traditional Name: 4-benzyl-3-cyclopropyl-5-(2,3-dihydro-1,4-benzodioxin-3-ylmethylthio)-1,2,4-triazole Formula: C21H21N3O2S MolecularWeight: 379.47534

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CC1C2=NN=C(N2CC3=CC=CC=C3)SCC4COC5=CC=CC=C5O4

Isomeric SMILES

C1CC1C2=NN=C(N2CC3=CC=CC=C3)SCC4COC5=CC=CC=C5O4

InChI

InChI=1S/C21H21N3O2S/c1-2-6-15(7-3-1)12-24-20(16-10-11-16)22-23-21(24)27-14-17-13-25-18-8-4-5-9-19(18)26-17/h1-9,16-17H,10-14H2