1-butyl-3-[[5-chloranyl-1-[(4-fluorophenyl)methyl]-3-methyl-pyrazol-4-yl]methylideneamino]thiourea

Systemtic Name: 1-butyl-3-[[5-chloranyl-1-[(4-fluorophenyl)methyl]-3-methyl-pyrazol-4-yl]methylideneamino]thiourea Openeye Name: 1-butyl-3-[[5-chloro-1-[(4-fluorophenyl)methyl]-3-methyl-pyrazol-4-yl]methyleneamino]thiourea CAS Name: 1-butyl-3-[[5-chloro-1-[(4-fluorophenyl)methyl]-3-methyl-4-pyrazolyl]methylideneamino]thiourea IUPAC Name: 1-butyl-3-[[5-chloro-1-[(4-fluorophenyl)methyl]-3-methylpyrazol-4-yl]methylideneamino]thiourea Traditional Name: 1-butyl-3-[[5-chloro-1-(4-fluorobenzyl)-3-methyl-pyrazol-4-yl]methyleneamino]thiourea Formula: C17H21ClFN5S MolecularWeight: 381.898543

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Descriptors Computed from Structure

Canonical SMILES:

CCCCNC(=S)NN=CC1=C(N(N=C1C)CC2=CC=C(C=C2)F)Cl

Isomeric SMILES

CCCCNC(=S)NN=CC1=C(N(N=C1C)CC2=CC=C(C=C2)F)Cl

InChI

InChI=1S/C17H21ClFN5S/c1-3-4-9-20-17(25)22-21-10-15-12(2)23-24(16(15)18)11-13-5-7-14(19)8-6-13/h5-8,10H,3-4,9,11H2,1-2H3,(H2,20,22,25)