3-[(7-chloranyl-1,3-benzodioxol-5-yl)methylsulfanyl]-4-(3-methoxyphenyl)-1,2,4-triazole

Systemtic Name: 3-[(7-chloranyl-1,3-benzodioxol-5-yl)methylsulfanyl]-4-(3-methoxyphenyl)-1,2,4-triazole Openeye Name: 3-[(7-chloro-1,3-benzodioxol-5-yl)methylsulfanyl]-4-(3-methoxyphenyl)-1,2,4-triazole CAS Name: 3-[(7-chloro-1,3-benzodioxol-5-yl)methylthio]-4-(3-methoxyphenyl)-1,2,4-triazole IUPAC Name: 3-[(7-chloro-1,3-benzodioxol-5-yl)methylsulfanyl]-4-(3-methoxyphenyl)-1,2,4-triazole Traditional Name: 3-[(7-chloro-1,3-benzodioxol-5-yl)methylthio]-4-(3-methoxyphenyl)-1,2,4-triazole Formula: C17H14ClN3O3S MolecularWeight: 375.82936

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1)N2C=NN=C2SCC3=CC4=C(C(=C3)Cl)OCO4

Isomeric SMILES

COC1=CC=CC(=C1)N2C=NN=C2SCC3=CC4=C(C(=C3)Cl)OCO4

InChI

InChI=1S/C17H14ClN3O3S/c1-22-13-4-2-3-12(7-13)21-9-19-20-17(21)25-8-11-5-14(18)16-15(6-11)23-10-24-16/h2-7,9H,8,10H2,1H3