3-[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]-5-(2-methylpropylsulfanyl)-4-phenyl-1,2,4-triazole

Systemtic Name: 3-[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]-5-(2-methylpropylsulfanyl)-4-phenyl-1,2,4-triazole Openeye Name: 3-[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]-5-isobutylsulfanyl-4-phenyl-1,2,4-triazole CAS Name: 3-[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]-5-(2-methylpropylthio)-4-phenyl-1,2,4-triazole IUPAC Name: 3-[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]-5-(2-methylpropylsulfanyl)-4-phenyl-1,2,4-triazole Traditional Name: 3-[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]-5-(isobutylthio)-4-phenyl-1,2,4-triazole Formula: C20H21N3O2S MolecularWeight: 367.46464

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CSC1=NN=C(N1C2=CC=CC=C2)C3COC4=CC=CC=C4O3

Isomeric SMILES

CC(C)CSC1=NN=C(N1C2=CC=CC=C2)[C@H]3COC4=CC=CC=C4O3

InChI

InChI=1S/C20H21N3O2S/c1-14(2)13-26-20-22-21-19(23(20)15-8-4-3-5-9-15)18-12-24-16-10-6-7-11-17(16)25-18/h3-11,14,18H,12-13H2,1-2H3/t18-/m1/s1