4-[5-(1,3-benzodioxol-5-ylmethylsulfanyl)-4-phenyl-1,2,4-triazol-3-yl]morpholine

Systemtic Name: 4-[5-(1,3-benzodioxol-5-ylmethylsulfanyl)-4-phenyl-1,2,4-triazol-3-yl]morpholine Openeye Name: 4-[5-(1,3-benzodioxol-5-ylmethylsulfanyl)-4-phenyl-1,2,4-triazol-3-yl]morpholine CAS Name: 4-[5-(1,3-benzodioxol-5-ylmethylthio)-4-phenyl-1,2,4-triazol-3-yl]morpholine IUPAC Name: 4-[5-(1,3-benzodioxol-5-ylmethylsulfanyl)-4-phenyl-1,2,4-triazol-3-yl]morpholine Traditional Name: 4-[4-phenyl-5-(piperonylthio)-1,2,4-triazol-3-yl]morpholine Formula: C20H20N4O3S MolecularWeight: 396.4628

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Descriptors Computed from Structure

Canonical SMILES:

C1COCCN1C2=NN=C(N2C3=CC=CC=C3)SCC4=CC5=C(C=C4)OCO5

Isomeric SMILES

C1COCCN1C2=NN=C(N2C3=CC=CC=C3)SCC4=CC5=C(C=C4)OCO5

InChI

InChI=1S/C20H20N4O3S/c1-2-4-16(5-3-1)24-19(23-8-10-25-11-9-23)21-22-20(24)28-13-15-6-7-17-18(12-15)27-14-26-17/h1-7,12H,8-11,13-14H2