5-(1,3-benzodioxol-5-yl)-1-(3-chloranyl-4-methyl-phenyl)-1,2,4-triazole

Systemtic Name: 5-(1,3-benzodioxol-5-yl)-1-(3-chloranyl-4-methyl-phenyl)-1,2,4-triazole Openeye Name: 5-(1,3-benzodioxol-5-yl)-1-(3-chloro-4-methyl-phenyl)-1,2,4-triazole CAS Name: 5-(1,3-benzodioxol-5-yl)-1-(3-chloro-4-methylphenyl)-1,2,4-triazole IUPAC Name: 5-(1,3-benzodioxol-5-yl)-1-(3-chloro-4-methylphenyl)-1,2,4-triazole Traditional Name: 5-(1,3-benzodioxol-5-yl)-1-(3-chloro-4-methyl-phenyl)-1,2,4-triazole Formula: C16H12ClN3O2 MolecularWeight: 313.73838

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)N2C(=NC=N2)C3=CC4=C(C=C3)OCO4)Cl

Isomeric SMILES

CC1=C(C=C(C=C1)N2C(=NC=N2)C3=CC4=C(C=C3)OCO4)Cl

InChI

InChI=1S/C16H12ClN3O2/c1-10-2-4-12(7-13(10)17)20-16(18-8-19-20)11-3-5-14-15(6-11)22-9-21-14/h2-8H,9H2,1H3