3-[(6-chloranyl-4H-1,3-benzodioxin-8-yl)methylsulfanyl]-5-(3-methylphenyl)-4-propyl-1,2,4-triazole

Systemtic Name: 3-[(6-chloranyl-4H-1,3-benzodioxin-8-yl)methylsulfanyl]-5-(3-methylphenyl)-4-propyl-1,2,4-triazole Openeye Name: 3-[(6-chloro-4H-1,3-benzodioxin-8-yl)methylsulfanyl]-5-(m-tolyl)-4-propyl-1,2,4-triazole CAS Name: 3-[(6-chloro-4H-1,3-benzodioxin-8-yl)methylthio]-5-(3-methylphenyl)-4-propyl-1,2,4-triazole IUPAC Name: 3-[(6-chloro-4H-1,3-benzodioxin-8-yl)methylsulfanyl]-5-(3-methylphenyl)-4-propyl-1,2,4-triazole Traditional Name: 3-[(6-chloro-4H-1,3-benzodioxin-8-yl)methylthio]-5-(m-tolyl)-4-propyl-1,2,4-triazole Formula: C21H22ClN3O2S MolecularWeight: 415.93628

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C(=NN=C1SCC2=C3C(=CC(=C2)Cl)COCO3)C4=CC(=CC=C4)C

Isomeric SMILES

CCCN1C(=NN=C1SCC2=C3C(=CC(=C2)Cl)COCO3)C4=CC(=CC=C4)C

InChI

InChI=1S/C21H22ClN3O2S/c1-3-7-25-20(15-6-4-5-14(2)8-15)23-24-21(25)28-12-17-10-18(22)9-16-11-26-13-27-19(16)17/h4-6,8-10H,3,7,11-13H2,1-2H3