1-[3,5-dimethyl-1-[(3-phenoxyphenyl)methyl]pyrazol-4-yl]-3-ethyl-thiourea

Systemtic Name: 1-[3,5-dimethyl-1-[(3-phenoxyphenyl)methyl]pyrazol-4-yl]-3-ethyl-thiourea Openeye Name: 1-[3,5-dimethyl-1-[(3-phenoxyphenyl)methyl]pyrazol-4-yl]-3-ethyl-thiourea CAS Name: 1-[3,5-dimethyl-1-[(3-phenoxyphenyl)methyl]-4-pyrazolyl]-3-ethylthiourea IUPAC Name: 1-[3,5-dimethyl-1-[(3-phenoxyphenyl)methyl]pyrazol-4-yl]-3-ethylthiourea Traditional Name: 1-[3,5-dimethyl-1-(3-phenoxybenzyl)pyrazol-4-yl]-3-ethyl-thiourea Formula: C21H24N4OS MolecularWeight: 380.50646

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Descriptors Computed from Structure

Canonical SMILES:

CCNC(=S)NC1=C(N(N=C1C)CC2=CC(=CC=C2)OC3=CC=CC=C3)C

Isomeric SMILES

CCNC(=S)NC1=C(N(N=C1C)CC2=CC(=CC=C2)OC3=CC=CC=C3)C

InChI

InChI=1S/C21H24N4OS/c1-4-22-21(27)23-20-15(2)24-25(16(20)3)14-17-9-8-12-19(13-17)26-18-10-6-5-7-11-18/h5-13H,4,14H2,1-3H3,(H2,22,23,27)