3-[[(3-chlorophenyl)amino]methyl]-4-prop-2-enyl-1H-1,2,4-triazole-5-thione

Systemtic Name: 3-[[(3-chlorophenyl)amino]methyl]-4-prop-2-enyl-1H-1,2,4-triazole-5-thione Openeye Name: 4-allyl-3-[(3-chloroanilino)methyl]-1H-1,2,4-triazole-5-thione CAS Name: 3-[(3-chloroanilino)methyl]-4-prop-2-enyl-1H-1,2,4-triazole-5-thione IUPAC Name: 3-[(3-chloroanilino)methyl]-4-prop-2-enyl-1H-1,2,4-triazole-5-thione Traditional Name: 4-allyl-3-[(3-chloroanilino)methyl]-1H-1,2,4-triazole-5-thione Formula: C12H13ClN4S MolecularWeight: 280.77642

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Descriptors Computed from Structure

Canonical SMILES:

C=CCN1C(=NNC1=S)CNC2=CC(=CC=C2)Cl

Isomeric SMILES

C=CCN1C(=NNC1=S)CNC2=CC(=CC=C2)Cl

InChI

InChI=1S/C12H13ClN4S/c1-2-6-17-11(15-16-12(17)18)8-14-10-5-3-4-9(13)7-10/h2-5,7,14H,1,6,8H2,(H,16,18)