1-[2-(3,5-dimethylpyrazol-1-yl)ethanoylamino]-3-(4-ethylphenyl)thiourea

Systemtic Name: 1-[2-(3,5-dimethylpyrazol-1-yl)ethanoylamino]-3-(4-ethylphenyl)thiourea Openeye Name: 1-[[2-(3,5-dimethylpyrazol-1-yl)acetyl]amino]-3-(4-ethylphenyl)thiourea CAS Name: 1-[[2-(3,5-dimethyl-1-pyrazolyl)-1-oxoethyl]amino]-3-(4-ethylphenyl)thiourea IUPAC Name: 1-[[2-(3,5-dimethylpyrazol-1-yl)acetyl]amino]-3-(4-ethylphenyl)thiourea Traditional Name: 1-[[2-(3,5-dimethylpyrazol-1-yl)acetyl]amino]-3-(4-ethylphenyl)thiourea Formula: C16H21N5OS MolecularWeight: 331.43584

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)NC(=S)NNC(=O)CN2C(=CC(=N2)C)C

Isomeric SMILES

CCC1=CC=C(C=C1)NC(=S)NNC(=O)CN2C(=CC(=N2)C)C

InChI

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