1-[2-(3,4-dimethoxyphenyl)ethyl]-3-[4-(pyrazol-1-ylmethyl)phenyl]thiourea

Systemtic Name: 1-[2-(3,4-dimethoxyphenyl)ethyl]-3-[4-(pyrazol-1-ylmethyl)phenyl]thiourea Openeye Name: 1-[2-(3,4-dimethoxyphenyl)ethyl]-3-[4-(pyrazol-1-ylmethyl)phenyl]thiourea CAS Name: 1-[2-(3,4-dimethoxyphenyl)ethyl]-3-[4-(1-pyrazolylmethyl)phenyl]thiourea IUPAC Name: 1-[2-(3,4-dimethoxyphenyl)ethyl]-3-[4-(pyrazol-1-ylmethyl)phenyl]thiourea Traditional Name: 1-homoveratryl-3-[4-(pyrazol-1-ylmethyl)phenyl]thiourea Formula: C21H24N4O2S MolecularWeight: 396.50586

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)CCNC(=S)NC2=CC=C(C=C2)CN3C=CC=N3)OC

Isomeric SMILES

COC1=C(C=C(C=C1)CCNC(=S)NC2=CC=C(C=C2)CN3C=CC=N3)OC

InChI

InChI=1S/C21H24N4O2S/c1-26-19-9-6-16(14-20(19)27-2)10-12-22-21(28)24-18-7-4-17(5-8-18)15-25-13-3-11-23-25/h3-9,11,13-14H,10,12,15H2,1-2H3,(H2,22,24,28)