5-[(4-propan-2-ylphenyl)methylsulfanyl]-1H-1,2,4-triazole

Systemtic Name: 5-[(4-propan-2-ylphenyl)methylsulfanyl]-1H-1,2,4-triazole Openeye Name: 5-[(4-isopropylphenyl)methylsulfanyl]-1H-1,2,4-triazole CAS Name: 5-[(4-propan-2-ylphenyl)methylthio]-1H-1,2,4-triazole IUPAC Name: 5-[(4-propan-2-ylphenyl)methylsulfanyl]-1H-1,2,4-triazole Traditional Name: 5-[(4-isopropylbenzyl)thio]-1H-1,2,4-triazole Formula: C12H15N3S MolecularWeight: 233.3326

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=CC=C(C=C1)CSC2=NC=NN2

Isomeric SMILES

CC(C)C1=CC=C(C=C1)CSC2=NC=NN2

InChI

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