1-butyl-3-[1-[(3-methoxyphenyl)methyl]pyrazol-4-yl]thiourea

Systemtic Name: 1-butyl-3-[1-[(3-methoxyphenyl)methyl]pyrazol-4-yl]thiourea Openeye Name: 1-butyl-3-[1-[(3-methoxyphenyl)methyl]pyrazol-4-yl]thiourea CAS Name: 1-butyl-3-[1-[(3-methoxyphenyl)methyl]-4-pyrazolyl]thiourea IUPAC Name: 1-butyl-3-[1-[(3-methoxyphenyl)methyl]pyrazol-4-yl]thiourea Traditional Name: 1-butyl-3-(1-m-anisylpyrazol-4-yl)thiourea Formula: C16H22N4OS MolecularWeight: 318.43708

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Descriptors Computed from Structure

Canonical SMILES:

CCCCNC(=S)NC1=CN(N=C1)CC2=CC(=CC=C2)OC

Isomeric SMILES

CCCCNC(=S)NC1=CN(N=C1)CC2=CC(=CC=C2)OC

InChI

InChI=1S/C16H22N4OS/c1-3-4-8-17-16(22)19-14-10-18-20(12-14)11-13-6-5-7-15(9-13)21-2/h5-7,9-10,12H,3-4,8,11H2,1-2H3,(H2,17,19,22)