1-butyl-3-[3-[(4-chloranylpyrazol-1-yl)methyl]phenyl]thiourea

Systemtic Name: 1-butyl-3-[3-[(4-chloranylpyrazol-1-yl)methyl]phenyl]thiourea Openeye Name: 1-butyl-3-[3-[(4-chloropyrazol-1-yl)methyl]phenyl]thiourea CAS Name: 1-butyl-3-[3-[(4-chloro-1-pyrazolyl)methyl]phenyl]thiourea IUPAC Name: 1-butyl-3-[3-[(4-chloropyrazol-1-yl)methyl]phenyl]thiourea Traditional Name: 1-butyl-3-[3-[(4-chloropyrazol-1-yl)methyl]phenyl]thiourea Formula: C15H19ClN4S MolecularWeight: 322.85616

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Descriptors Computed from Structure

Canonical SMILES:

CCCCNC(=S)NC1=CC=CC(=C1)CN2C=C(C=N2)Cl

Isomeric SMILES

CCCCNC(=S)NC1=CC=CC(=C1)CN2C=C(C=N2)Cl

InChI

InChI=1S/C15H19ClN4S/c1-2-3-7-17-15(21)19-14-6-4-5-12(8-14)10-20-11-13(16)9-18-20/h4-6,8-9,11H,2-3,7,10H2,1H3,(H2,17,19,21)