3-(4-methoxyphenyl)-5-[(E)-3-phenylprop-2-enyl]sulfanyl-4-prop-2-enyl-1,2,4-triazole

Systemtic Name: 3-(4-methoxyphenyl)-5-[(E)-3-phenylprop-2-enyl]sulfanyl-4-prop-2-enyl-1,2,4-triazole Openeye Name: 4-allyl-3-[(E)-cinnamyl]sulfanyl-5-(4-methoxyphenyl)-1,2,4-triazole CAS Name: 3-(4-methoxyphenyl)-5-[[(E)-3-phenylprop-2-enyl]thio]-4-prop-2-enyl-1,2,4-triazole IUPAC Name: 3-(4-methoxyphenyl)-5-[(E)-3-phenylprop-2-enyl]sulfanyl-4-prop-2-enyl-1,2,4-triazole Traditional Name: 4-allyl-3-[[(E)-cinnamyl]thio]-5-(4-methoxyphenyl)-1,2,4-triazole Formula: C21H21N3OS MolecularWeight: 363.47594

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C2=NN=C(N2CC=C)SCC=CC3=CC=CC=C3

Isomeric SMILES

COC1=CC=C(C=C1)C2=NN=C(N2CC=C)SC/C=C/C3=CC=CC=C3

InChI

InChI=1S/C21H21N3OS/c1-3-15-24-20(18-11-13-19(25-2)14-12-18)22-23-21(24)26-16-7-10-17-8-5-4-6-9-17/h3-14H,1,15-16H2,2H3/b10-7+