1-tert-butyl-1-[[(E)-[3-(4-methoxyphenyl)pyrazol-4-ylidene]methyl]amino]thiourea

Systemtic Name: 1-tert-butyl-1-[[(E)-[3-(4-methoxyphenyl)pyrazol-4-ylidene]methyl]amino]thiourea Openeye Name: 1-tert-butyl-1-[[(E)-[3-(4-methoxyphenyl)pyrazol-4-ylidene]methyl]amino]thiourea CAS Name: 1-tert-butyl-1-[[(E)-[3-(4-methoxyphenyl)-4-pyrazolylidene]methyl]amino]thiourea IUPAC Name: 1-tert-butyl-1-[[(E)-[3-(4-methoxyphenyl)pyrazol-4-ylidene]methyl]amino]thiourea Traditional Name: 1-tert-butyl-1-[[(E)-[3-(4-methoxyphenyl)pyrazol-4-ylidene]methyl]amino]thiourea Formula: C16H21N5OS MolecularWeight: 331.43584

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)N(C(=S)N)NC=C1C=NN=C1C2=CC=C(C=C2)OC

Isomeric SMILES

CC(C)(C)N(C(=S)N)N/C=C/1\C=NN=C1C2=CC=C(C=C2)OC

InChI

InChI=1S/C16H21N5OS/c1-16(2,3)21(15(17)23)19-10-12-9-18-20-14(12)11-5-7-13(22-4)8-6-11/h5-10,19H,1-4H3,(H2,17,23)/b12-10+