3-(phenylmethylsulfanyl)-5-propan-2-yl-1H-1,2,4-triazole

Systemtic Name: 3-(phenylmethylsulfanyl)-5-propan-2-yl-1H-1,2,4-triazole Openeye Name: 3-benzylsulfanyl-5-isopropyl-1H-1,2,4-triazole CAS Name: 3-(phenylmethylthio)-5-propan-2-yl-1H-1,2,4-triazole IUPAC Name: 3-benzylsulfanyl-5-propan-2-yl-1H-1,2,4-triazole Traditional Name: 3-(benzylthio)-5-isopropyl-1H-1,2,4-triazole Formula: C12H15N3S MolecularWeight: 233.3326

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=NC(=NN1)SCC2=CC=CC=C2

Isomeric SMILES

CC(C)C1=NC(=NN1)SCC2=CC=CC=C2

InChI

InChI=1S/C12H15N3S/c1-9(2)11-13-12(15-14-11)16-8-10-6-4-3-5-7-10/h3-7,9H,8H2,1-2H3,(H,13,14,15)