5-(4-ethylphenyl)-3-[(4-propan-2-ylphenyl)methylsulfanyl]-1H-1,2,4-triazole

Systemtic Name: 5-(4-ethylphenyl)-3-[(4-propan-2-ylphenyl)methylsulfanyl]-1H-1,2,4-triazole Openeye Name: 5-(4-ethylphenyl)-3-[(4-isopropylphenyl)methylsulfanyl]-1H-1,2,4-triazole CAS Name: 5-(4-ethylphenyl)-3-[(4-propan-2-ylphenyl)methylthio]-1H-1,2,4-triazole IUPAC Name: 5-(4-ethylphenyl)-3-[(4-propan-2-ylphenyl)methylsulfanyl]-1H-1,2,4-triazole Traditional Name: 5-(4-ethylphenyl)-3-[(4-isopropylbenzyl)thio]-1H-1,2,4-triazole Formula: C20H23N3S MolecularWeight: 337.48172

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)C2=NC(=NN2)SCC3=CC=C(C=C3)C(C)C

Isomeric SMILES

CCC1=CC=C(C=C1)C2=NC(=NN2)SCC3=CC=C(C=C3)C(C)C

InChI

InChI=1S/C20H23N3S/c1-4-15-5-11-18(12-6-15)19-21-20(23-22-19)24-13-16-7-9-17(10-8-16)14(2)3/h5-12,14H,4,13H2,1-3H3,(H,21,22,23)