3-[(4-methylphenyl)sulfanylmethyl]-5-phenethylsulfanyl-4-prop-2-enyl-1,2,4-triazole

Systemtic Name: 3-[(4-methylphenyl)sulfanylmethyl]-5-phenethylsulfanyl-4-prop-2-enyl-1,2,4-triazole Openeye Name: 4-allyl-3-phenethylsulfanyl-5-(p-tolylsulfanylmethyl)-1,2,4-triazole CAS Name: 3-[[(4-methylphenyl)thio]methyl]-5-(phenethylthio)-4-prop-2-enyl-1,2,4-triazole IUPAC Name: 3-[(4-methylphenyl)sulfanylmethyl]-5-phenethylsulfanyl-4-prop-2-enyl-1,2,4-triazole Traditional Name: 4-allyl-3-(phenethylthio)-5-[(p-tolylthio)methyl]-1,2,4-triazole Formula: C21H23N3S2 MolecularWeight: 381.55742

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)SCC2=NN=C(N2CC=C)SCCC3=CC=CC=C3

Isomeric SMILES

CC1=CC=C(C=C1)SCC2=NN=C(N2CC=C)SCCC3=CC=CC=C3

InChI

InChI=1S/C21H23N3S2/c1-3-14-24-20(16-26-19-11-9-17(2)10-12-19)22-23-21(24)25-15-13-18-7-5-4-6-8-18/h3-12H,1,13-16H2,2H3