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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)N2C(=NN=C2SCC=CC3=CC=CC=C3)C4=CC=CC=C4)C

Isomeric SMILES

CC1=C(C=C(C=C1)N2C(=NN=C2SC/C=C/C3=CC=CC=C3)C4=CC=CC=C4)C

InChI

InChI=1S/C25H23N3S/c1-19-15-16-23(18-20(19)2)28-24(22-13-7-4-8-14-22)26-27-25(28)29-17-9-12-21-10-5-3-6-11-21/h3-16,18H,17H2,1-2H3/b12-9+