1-(4-ethoxyphenyl)-3-[(1,3,5-trimethylpyrazol-4-yl)methyl]thiourea

Systemtic Name: 1-(4-ethoxyphenyl)-3-[(1,3,5-trimethylpyrazol-4-yl)methyl]thiourea Openeye Name: 1-(4-ethoxyphenyl)-3-[(1,3,5-trimethylpyrazol-4-yl)methyl]thiourea CAS Name: 1-(4-ethoxyphenyl)-3-[(1,3,5-trimethyl-4-pyrazolyl)methyl]thiourea IUPAC Name: 1-(4-ethoxyphenyl)-3-[(1,3,5-trimethylpyrazol-4-yl)methyl]thiourea Traditional Name: 1-p-phenetyl-3-[(1,3,5-trimethylpyrazol-4-yl)methyl]thiourea Formula: C16H22N4OS MolecularWeight: 318.43708

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)NC(=S)NCC2=C(N(N=C2C)C)C

Isomeric SMILES

CCOC1=CC=C(C=C1)NC(=S)NCC2=C(N(N=C2C)C)C

InChI

InChI=1S/C16H22N4OS/c1-5-21-14-8-6-13(7-9-14)18-16(22)17-10-15-11(2)19-20(4)12(15)3/h6-9H,5,10H2,1-4H3,(H2,17,18,22)