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

Systemtic Name: 3-[(3-methoxyphenyl)methylsulfanyl]-5-phenethyl-4-prop-2-enyl-1,2,4-triazole Openeye Name: 4-allyl-3-[(3-methoxyphenyl)methylsulfanyl]-5-phenethyl-1,2,4-triazole CAS Name: 3-[(3-methoxyphenyl)methylthio]-5-phenethyl-4-prop-2-enyl-1,2,4-triazole IUPAC Name: 3-[(3-methoxyphenyl)methylsulfanyl]-5-phenethyl-4-prop-2-enyl-1,2,4-triazole Traditional Name: 4-allyl-3-(m-anisylthio)-5-phenethyl-1,2,4-triazole Formula: C21H23N3OS MolecularWeight: 365.49182

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1)CSC2=NN=C(N2CC=C)CCC3=CC=CC=C3

Isomeric SMILES

COC1=CC=CC(=C1)CSC2=NN=C(N2CC=C)CCC3=CC=CC=C3

InChI

InChI=1S/C21H23N3OS/c1-3-14-24-20(13-12-17-8-5-4-6-9-17)22-23-21(24)26-16-18-10-7-11-19(15-18)25-2/h3-11,15H,1,12-14,16H2,2H3