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

Systemtic Name: 3-(1,3-benzodioxol-5-yl)-5-(oxan-2-ylmethylsulfanyl)-4-phenyl-1,2,4-triazole Openeye Name: 3-(1,3-benzodioxol-5-yl)-4-phenyl-5-(tetrahydropyran-2-ylmethylsulfanyl)-1,2,4-triazole CAS Name: 3-(1,3-benzodioxol-5-yl)-5-(2-oxanylmethylthio)-4-phenyl-1,2,4-triazole IUPAC Name: 3-(1,3-benzodioxol-5-yl)-5-(oxan-2-ylmethylsulfanyl)-4-phenyl-1,2,4-triazole Traditional Name: 3-(1,3-benzodioxol-5-yl)-4-phenyl-5-(tetrahydropyran-2-ylmethylthio)-1,2,4-triazole Formula: C21H21N3O3S MolecularWeight: 395.47474

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Descriptors Computed from Structure

Canonical SMILES:

C1CCOC(C1)CSC2=NN=C(N2C3=CC=CC=C3)C4=CC5=C(C=C4)OCO5

Isomeric SMILES

C1CCOC(C1)CSC2=NN=C(N2C3=CC=CC=C3)C4=CC5=C(C=C4)OCO5

InChI

InChI=1S/C21H21N3O3S/c1-2-6-16(7-3-1)24-20(15-9-10-18-19(12-15)27-14-26-18)22-23-21(24)28-13-17-8-4-5-11-25-17/h1-3,6-7,9-10,12,17H,4-5,8,11,13-14H2