3-(phenylmethylsulfanyl)-5-propan-2-yl-1,2,4-triazol-4-amine

Systemtic Name: 3-(phenylmethylsulfanyl)-5-propan-2-yl-1,2,4-triazol-4-amine Openeye Name: 3-benzylsulfanyl-5-isopropyl-1,2,4-triazol-4-amine CAS Name: 3-(phenylmethylthio)-5-propan-2-yl-1,2,4-triazol-4-amine IUPAC Name: 3-benzylsulfanyl-5-propan-2-yl-1,2,4-triazol-4-amine Traditional Name: [3-(benzylthio)-5-isopropyl-1,2,4-triazol-4-yl]amine Formula: C12H16N4S MolecularWeight: 248.34724

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=NN=C(N1N)SCC2=CC=CC=C2

Isomeric SMILES

CC(C)C1=NN=C(N1N)SCC2=CC=CC=C2

InChI

InChI=1S/C12H16N4S/c1-9(2)11-14-15-12(16(11)13)17-8-10-6-4-3-5-7-10/h3-7,9H,8,13H2,1-2H3