3-(4-ethoxyphenyl)-5-[(3-methylphenyl)methylsulfanyl]-4-prop-2-enyl-1,2,4-triazole

Systemtic Name: 3-(4-ethoxyphenyl)-5-[(3-methylphenyl)methylsulfanyl]-4-prop-2-enyl-1,2,4-triazole Openeye Name: 4-allyl-3-(4-ethoxyphenyl)-5-(m-tolylmethylsulfanyl)-1,2,4-triazole CAS Name: 3-(4-ethoxyphenyl)-5-[(3-methylphenyl)methylthio]-4-prop-2-enyl-1,2,4-triazole IUPAC Name: 3-(4-ethoxyphenyl)-5-[(3-methylphenyl)methylsulfanyl]-4-prop-2-enyl-1,2,4-triazole Traditional Name: 4-allyl-3-[(3-methylbenzyl)thio]-5-p-phenetyl-1,2,4-triazole Formula: C21H23N3OS MolecularWeight: 365.49182

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)C2=NN=C(N2CC=C)SCC3=CC=CC(=C3)C

Isomeric SMILES

CCOC1=CC=C(C=C1)C2=NN=C(N2CC=C)SCC3=CC=CC(=C3)C

InChI

InChI=1S/C21H23N3OS/c1-4-13-24-20(18-9-11-19(12-10-18)25-5-2)22-23-21(24)26-15-17-8-6-7-16(3)14-17/h4,6-12,14H,1,5,13,15H2,2-3H3