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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC=C1Cl)N2C(=NC=N2)C3=CC4=C(C=C3)OCO4

Isomeric SMILES

CC1=C(C=CC=C1Cl)N2C(=NC=N2)C3=CC4=C(C=C3)OCO4

InChI

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