3-(4-methoxyphenyl)-5-[2-(3-methylphenoxy)ethylsulfanyl]-4-prop-2-enyl-1,2,4-triazole

Systemtic Name: 3-(4-methoxyphenyl)-5-[2-(3-methylphenoxy)ethylsulfanyl]-4-prop-2-enyl-1,2,4-triazole Openeye Name: 4-allyl-3-(4-methoxyphenyl)-5-[2-(3-methylphenoxy)ethylsulfanyl]-1,2,4-triazole CAS Name: 3-(4-methoxyphenyl)-5-[2-(3-methylphenoxy)ethylthio]-4-prop-2-enyl-1,2,4-triazole IUPAC Name: 3-(4-methoxyphenyl)-5-[2-(3-methylphenoxy)ethylsulfanyl]-4-prop-2-enyl-1,2,4-triazole Traditional Name: 4-allyl-3-(4-methoxyphenyl)-5-[2-(3-methylphenoxy)ethylthio]-1,2,4-triazole Formula: C21H23N3O2S MolecularWeight: 381.49122

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)OCCSC2=NN=C(N2CC=C)C3=CC=C(C=C3)OC

Isomeric SMILES

CC1=CC(=CC=C1)OCCSC2=NN=C(N2CC=C)C3=CC=C(C=C3)OC

InChI

InChI=1S/C21H23N3O2S/c1-4-12-24-20(17-8-10-18(25-3)11-9-17)22-23-21(24)27-14-13-26-19-7-5-6-16(2)15-19/h4-11,15H,1,12-14H2,2-3H3