3-[(3-chlorophenyl)methylsulfanyl]-5-propyl-1,2,4-triazol-4-amine

Systemtic Name: 3-[(3-chlorophenyl)methylsulfanyl]-5-propyl-1,2,4-triazol-4-amine Openeye Name: 3-[(3-chlorophenyl)methylsulfanyl]-5-propyl-1,2,4-triazol-4-amine CAS Name: 3-[(3-chlorophenyl)methylthio]-5-propyl-1,2,4-triazol-4-amine IUPAC Name: 3-[(3-chlorophenyl)methylsulfanyl]-5-propyl-1,2,4-triazol-4-amine Traditional Name: [3-[(3-chlorobenzyl)thio]-5-propyl-1,2,4-triazol-4-yl]amine Formula: C12H15ClN4S MolecularWeight: 282.7923

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=NN=C(N1N)SCC2=CC(=CC=C2)Cl

Isomeric SMILES

CCCC1=NN=C(N1N)SCC2=CC(=CC=C2)Cl

InChI

InChI=1S/C12H15ClN4S/c1-2-4-11-15-16-12(17(11)14)18-8-9-5-3-6-10(13)7-9/h3,5-7H,2,4,8,14H2,1H3