3-[(3-chloranyl-4-methoxy-phenyl)methyl]-4-prop-2-enyl-1H-1,2,4-triazole-5-thione

Systemtic Name: 3-[(3-chloranyl-4-methoxy-phenyl)methyl]-4-prop-2-enyl-1H-1,2,4-triazole-5-thione Openeye Name: 4-allyl-3-[(3-chloro-4-methoxy-phenyl)methyl]-1H-1,2,4-triazole-5-thione CAS Name: 3-[(3-chloro-4-methoxyphenyl)methyl]-4-prop-2-enyl-1H-1,2,4-triazole-5-thione IUPAC Name: 3-[(3-chloro-4-methoxyphenyl)methyl]-4-prop-2-enyl-1H-1,2,4-triazole-5-thione Traditional Name: 4-allyl-3-(3-chloro-4-methoxy-benzyl)-1H-1,2,4-triazole-5-thione Formula: C13H14ClN3OS MolecularWeight: 295.78776

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)CC2=NNC(=S)N2CC=C)Cl

Isomeric SMILES

COC1=C(C=C(C=C1)CC2=NNC(=S)N2CC=C)Cl

InChI

InChI=1S/C13H14ClN3OS/c1-3-6-17-12(15-16-13(17)19)8-9-4-5-11(18-2)10(14)7-9/h3-5,7H,1,6,8H2,2H3,(H,16,19)