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

Systemtic Name: 4-(4-methylphenyl)-3-[(E)-3-phenylprop-2-enyl]sulfanyl-5-thiophen-2-yl-1,2,4-triazole Openeye Name: 3-[(E)-cinnamyl]sulfanyl-4-(p-tolyl)-5-(2-thienyl)-1,2,4-triazole CAS Name: 4-(4-methylphenyl)-3-[[(E)-3-phenylprop-2-enyl]thio]-5-thiophen-2-yl-1,2,4-triazole IUPAC Name: 4-(4-methylphenyl)-3-[(E)-3-phenylprop-2-enyl]sulfanyl-5-thiophen-2-yl-1,2,4-triazole Traditional Name: 3-[[(E)-cinnamyl]thio]-4-(p-tolyl)-5-(2-thienyl)-1,2,4-triazole Formula: C22H19N3S2 MolecularWeight: 389.53636

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)N2C(=NN=C2SCC=CC3=CC=CC=C3)C4=CC=CS4

Isomeric SMILES

CC1=CC=C(C=C1)N2C(=NN=C2SC/C=C/C3=CC=CC=C3)C4=CC=CS4

InChI

InChI=1S/C22H19N3S2/c1-17-11-13-19(14-12-17)25-21(20-10-6-15-26-20)23-24-22(25)27-16-5-9-18-7-3-2-4-8-18/h2-15H,16H2,1H3/b9-5+