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

Systemtic Name: 4-(4-methoxyphenyl)-3-(3-methylphenyl)-5-[(E)-3-phenylprop-2-enyl]sulfanyl-1,2,4-triazole Openeye Name: 3-[(E)-cinnamyl]sulfanyl-4-(4-methoxyphenyl)-5-(m-tolyl)-1,2,4-triazole CAS Name: 4-(4-methoxyphenyl)-3-(3-methylphenyl)-5-[[(E)-3-phenylprop-2-enyl]thio]-1,2,4-triazole IUPAC Name: 4-(4-methoxyphenyl)-3-(3-methylphenyl)-5-[(E)-3-phenylprop-2-enyl]sulfanyl-1,2,4-triazole Traditional Name: 3-[[(E)-cinnamyl]thio]-4-(4-methoxyphenyl)-5-(m-tolyl)-1,2,4-triazole Formula: C25H23N3OS MolecularWeight: 413.53462

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC(=C1)C2=NN=C(N2C3=CC=C(C=C3)OC)SCC=CC4=CC=CC=C4

Isomeric SMILES

CC1=CC=CC(=C1)C2=NN=C(N2C3=CC=C(C=C3)OC)SC/C=C/C4=CC=CC=C4

InChI

InChI=1S/C25H23N3OS/c1-19-8-6-12-21(18-19)24-26-27-25(28(24)22-13-15-23(29-2)16-14-22)30-17-7-11-20-9-4-3-5-10-20/h3-16,18H,17H2,1-2H3/b11-7+