3-phenethylsulfanyl-5-propan-2-yl-1,2,4-triazol-4-amine

Systemtic Name: 3-phenethylsulfanyl-5-propan-2-yl-1,2,4-triazol-4-amine Openeye Name: 3-isopropyl-5-phenethylsulfanyl-1,2,4-triazol-4-amine CAS Name: 3-(phenethylthio)-5-propan-2-yl-1,2,4-triazol-4-amine IUPAC Name: 3-phenethylsulfanyl-5-propan-2-yl-1,2,4-triazol-4-amine Traditional Name: [3-isopropyl-5-(phenethylthio)-1,2,4-triazol-4-yl]amine Formula: C13H18N4S MolecularWeight: 262.37382

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=NN=C(N1N)SCCC2=CC=CC=C2

Isomeric SMILES

CC(C)C1=NN=C(N1N)SCCC2=CC=CC=C2

InChI

InChI=1S/C13H18N4S/c1-10(2)12-15-16-13(17(12)14)18-9-8-11-6-4-3-5-7-11/h3-7,10H,8-9,14H2,1-2H3