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

Systemtic Name: 3,4-bis(4-methylphenyl)-5-[(E)-3-phenylprop-2-enyl]sulfanyl-1,2,4-triazole Openeye Name: 3-[(E)-cinnamyl]sulfanyl-4,5-bis(p-tolyl)-1,2,4-triazole CAS Name: 3,4-bis(4-methylphenyl)-5-[[(E)-3-phenylprop-2-enyl]thio]-1,2,4-triazole IUPAC Name: 3,4-bis(4-methylphenyl)-5-[(E)-3-phenylprop-2-enyl]sulfanyl-1,2,4-triazole Traditional Name: 3-[[(E)-cinnamyl]thio]-4,5-bis(p-tolyl)-1,2,4-triazole Formula: C25H23N3S MolecularWeight: 397.53522

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H23N3S/c1-19-10-14-22(15-11-19)24-26-27-25(28(24)23-16-12-20(2)13-17-23)29-18-6-9-21-7-4-3-5-8-21/h3-17H,18H2,1-2H3/b9-6+