3-[2-(4-methoxyphenoxy)ethylsulfanyl]-5-(phenylmethyl)-4-prop-2-enyl-1,2,4-triazole

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

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)OCCSC2=NN=C(N2CC=C)CC3=CC=CC=C3

Isomeric SMILES

COC1=CC=C(C=C1)OCCSC2=NN=C(N2CC=C)CC3=CC=CC=C3

InChI

InChI=1S/C21H23N3O2S/c1-3-13-24-20(16-17-7-5-4-6-8-17)22-23-21(24)27-15-14-26-19-11-9-18(25-2)10-12-19/h3-12H,1,13-16H2,2H3