3-(3-methoxy-1-methyl-pyrazol-4-yl)-4-methyl-5-[(E)-3-phenylprop-2-enyl]sulfanyl-1,2,4-triazole

Systemtic Name: 3-(3-methoxy-1-methyl-pyrazol-4-yl)-4-methyl-5-[(E)-3-phenylprop-2-enyl]sulfanyl-1,2,4-triazole Openeye Name: 3-[(E)-cinnamyl]sulfanyl-5-(3-methoxy-1-methyl-pyrazol-4-yl)-4-methyl-1,2,4-triazole CAS Name: 3-(3-methoxy-1-methyl-4-pyrazolyl)-4-methyl-5-[[(E)-3-phenylprop-2-enyl]thio]-1,2,4-triazole IUPAC Name: 3-(3-methoxy-1-methylpyrazol-4-yl)-4-methyl-5-[(E)-3-phenylprop-2-enyl]sulfanyl-1,2,4-triazole Traditional Name: 3-[[(E)-cinnamyl]thio]-5-(3-methoxy-1-methyl-pyrazol-4-yl)-4-methyl-1,2,4-triazole Formula: C17H19N5OS MolecularWeight: 341.43066

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN1C=C(C(=N1)OC)C2=NN=C(N2C)SCC=CC3=CC=CC=C3

Isomeric SMILES

CN1C=C(C(=N1)OC)C2=NN=C(N2C)SC/C=C/C3=CC=CC=C3

InChI

InChI=1S/C17H19N5OS/c1-21-12-14(16(20-21)23-3)15-18-19-17(22(15)2)24-11-7-10-13-8-5-4-6-9-13/h4-10,12H,11H2,1-3H3/b10-7+