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

Systemtic Name: 3-[(7-chloranyl-1,3-benzodioxol-5-yl)methylsulfanyl]-4-(2-methylphenyl)-1,2,4-triazole Openeye Name: 3-[(7-chloro-1,3-benzodioxol-5-yl)methylsulfanyl]-4-(o-tolyl)-1,2,4-triazole CAS Name: 3-[(7-chloro-1,3-benzodioxol-5-yl)methylthio]-4-(2-methylphenyl)-1,2,4-triazole IUPAC Name: 3-[(7-chloro-1,3-benzodioxol-5-yl)methylsulfanyl]-4-(2-methylphenyl)-1,2,4-triazole Traditional Name: 3-[(7-chloro-1,3-benzodioxol-5-yl)methylthio]-4-(o-tolyl)-1,2,4-triazole Formula: C17H14ClN3O2S MolecularWeight: 359.82996

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1N2C=NN=C2SCC3=CC4=C(C(=C3)Cl)OCO4

Isomeric SMILES

CC1=CC=CC=C1N2C=NN=C2SCC3=CC4=C(C(=C3)Cl)OCO4

InChI

InChI=1S/C17H14ClN3O2S/c1-11-4-2-3-5-14(11)21-9-19-20-17(21)24-8-12-6-13(18)16-15(7-12)22-10-23-16/h2-7,9H,8,10H2,1H3