3-[(2,5-dimethoxyphenyl)methylsulfanyl]-5-(2-methoxyphenyl)-4-prop-2-enyl-1,2,4-triazole

Systemtic Name: 3-[(2,5-dimethoxyphenyl)methylsulfanyl]-5-(2-methoxyphenyl)-4-prop-2-enyl-1,2,4-triazole Openeye Name: 4-allyl-3-[(2,5-dimethoxyphenyl)methylsulfanyl]-5-(2-methoxyphenyl)-1,2,4-triazole CAS Name: 3-[(2,5-dimethoxyphenyl)methylthio]-5-(2-methoxyphenyl)-4-prop-2-enyl-1,2,4-triazole IUPAC Name: 3-[(2,5-dimethoxyphenyl)methylsulfanyl]-5-(2-methoxyphenyl)-4-prop-2-enyl-1,2,4-triazole Traditional Name: 4-allyl-3-[(2,5-dimethoxybenzyl)thio]-5-(2-methoxyphenyl)-1,2,4-triazole Formula: C21H23N3O3S MolecularWeight: 397.49062

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1)OC)CSC2=NN=C(N2CC=C)C3=CC=CC=C3OC

Isomeric SMILES

COC1=CC(=C(C=C1)OC)CSC2=NN=C(N2CC=C)C3=CC=CC=C3OC

InChI

InChI=1S/C21H23N3O3S/c1-5-12-24-20(17-8-6-7-9-19(17)27-4)22-23-21(24)28-14-15-13-16(25-2)10-11-18(15)26-3/h5-11,13H,1,12,14H2,2-4H3