5-cyclopropyl-3-[(4-methylphenyl)methylsulfanyl]-1H-1,2,4-triazole

Systemtic Name: 5-cyclopropyl-3-[(4-methylphenyl)methylsulfanyl]-1H-1,2,4-triazole Openeye Name: 5-cyclopropyl-3-(p-tolylmethylsulfanyl)-1H-1,2,4-triazole CAS Name: 5-cyclopropyl-3-[(4-methylphenyl)methylthio]-1H-1,2,4-triazole IUPAC Name: 5-cyclopropyl-3-[(4-methylphenyl)methylsulfanyl]-1H-1,2,4-triazole Traditional Name: 5-cyclopropyl-3-[(4-methylbenzyl)thio]-1H-1,2,4-triazole Formula: C13H15N3S MolecularWeight: 245.3433

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)CSC2=NNC(=N2)C3CC3

Isomeric SMILES

CC1=CC=C(C=C1)CSC2=NNC(=N2)C3CC3

InChI

InChI=1S/C13H15N3S/c1-9-2-4-10(5-3-9)8-17-13-14-12(15-16-13)11-6-7-11/h2-5,11H,6-8H2,1H3,(H,14,15,16)