3-(4-butylphenyl)-1-methyl-1-[(1,3,5-trimethylpyrazol-4-yl)methyl]thiourea

Systemtic Name: 3-(4-butylphenyl)-1-methyl-1-[(1,3,5-trimethylpyrazol-4-yl)methyl]thiourea Openeye Name: 3-(4-butylphenyl)-1-methyl-1-[(1,3,5-trimethylpyrazol-4-yl)methyl]thiourea CAS Name: 3-(4-butylphenyl)-1-methyl-1-[(1,3,5-trimethyl-4-pyrazolyl)methyl]thiourea IUPAC Name: 3-(4-butylphenyl)-1-methyl-1-[(1,3,5-trimethylpyrazol-4-yl)methyl]thiourea Traditional Name: 3-(4-butylphenyl)-1-methyl-1-[(1,3,5-trimethylpyrazol-4-yl)methyl]thiourea Formula: C19H28N4S MolecularWeight: 344.51742

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC=C(C=C1)NC(=S)N(C)CC2=C(N(N=C2C)C)C

Isomeric SMILES

CCCCC1=CC=C(C=C1)NC(=S)N(C)CC2=C(N(N=C2C)C)C

InChI

InChI=1S/C19H28N4S/c1-6-7-8-16-9-11-17(12-10-16)20-19(24)22(4)13-18-14(2)21-23(5)15(18)3/h9-12H,6-8,13H2,1-5H3,(H,20,24)