1-(1,3-benzodioxol-5-yl)-3-[(4-pyrazol-1-ylphenyl)methyl]thiourea

Systemtic Name: 1-(1,3-benzodioxol-5-yl)-3-[(4-pyrazol-1-ylphenyl)methyl]thiourea Openeye Name: 1-(1,3-benzodioxol-5-yl)-3-[(4-pyrazol-1-ylphenyl)methyl]thiourea CAS Name: 1-(1,3-benzodioxol-5-yl)-3-[[4-(1-pyrazolyl)phenyl]methyl]thiourea IUPAC Name: 1-(1,3-benzodioxol-5-yl)-3-[(4-pyrazol-1-ylphenyl)methyl]thiourea Traditional Name: 1-(1,3-benzodioxol-5-yl)-3-(4-pyrazol-1-ylbenzyl)thiourea Formula: C18H16N4O2S MolecularWeight: 352.41024

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Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C=C(C=C2)NC(=S)NCC3=CC=C(C=C3)N4C=CC=N4

Isomeric SMILES

C1OC2=C(O1)C=C(C=C2)NC(=S)NCC3=CC=C(C=C3)N4C=CC=N4

InChI

InChI=1S/C18H16N4O2S/c25-18(21-14-4-7-16-17(10-14)24-12-23-16)19-11-13-2-5-15(6-3-13)22-9-1-8-20-22/h1-10H,11-12H2,(H2,19,21,25)