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

Systemtic Name: 3-[(7-chloranyl-1,3-benzodioxol-5-yl)methylsulfanyl]-5-methyl-4-(3-methylphenyl)-1,2,4-triazole Openeye Name: 3-[(7-chloro-1,3-benzodioxol-5-yl)methylsulfanyl]-5-methyl-4-(m-tolyl)-1,2,4-triazole CAS Name: 3-[(7-chloro-1,3-benzodioxol-5-yl)methylthio]-5-methyl-4-(3-methylphenyl)-1,2,4-triazole IUPAC Name: 3-[(7-chloro-1,3-benzodioxol-5-yl)methylsulfanyl]-5-methyl-4-(3-methylphenyl)-1,2,4-triazole Traditional Name: 3-[(7-chloro-1,3-benzodioxol-5-yl)methylthio]-5-methyl-4-(m-tolyl)-1,2,4-triazole Formula: C18H16ClN3O2S MolecularWeight: 373.85654

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)N2C(=NN=C2SCC3=CC4=C(C(=C3)Cl)OCO4)C

Isomeric SMILES

CC1=CC(=CC=C1)N2C(=NN=C2SCC3=CC4=C(C(=C3)Cl)OCO4)C

InChI

InChI=1S/C18H16ClN3O2S/c1-11-4-3-5-14(6-11)22-12(2)20-21-18(22)25-9-13-7-15(19)17-16(8-13)23-10-24-17/h3-8H,9-10H2,1-2H3