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

Systemtic Name: 1-[[5-chloranyl-1-[(4-fluorophenyl)methyl]-3-methyl-pyrazol-4-yl]methylideneamino]-3-(phenylmethyl)thiourea Openeye Name: 1-benzyl-3-[[5-chloro-1-[(4-fluorophenyl)methyl]-3-methyl-pyrazol-4-yl]methyleneamino]thiourea CAS Name: 1-[[5-chloro-1-[(4-fluorophenyl)methyl]-3-methyl-4-pyrazolyl]methylideneamino]-3-(phenylmethyl)thiourea IUPAC Name: 1-benzyl-3-[[5-chloro-1-[(4-fluorophenyl)methyl]-3-methylpyrazol-4-yl]methylideneamino]thiourea Traditional Name: 1-benzyl-3-[[5-chloro-1-(4-fluorobenzyl)-3-methyl-pyrazol-4-yl]methyleneamino]thiourea Formula: C20H19ClFN5S MolecularWeight: 415.914763

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=C1C=NNC(=S)NCC2=CC=CC=C2)Cl)CC3=CC=C(C=C3)F

Isomeric SMILES

CC1=NN(C(=C1C=NNC(=S)NCC2=CC=CC=C2)Cl)CC3=CC=C(C=C3)F

InChI

InChI=1S/C20H19ClFN5S/c1-14-18(12-24-25-20(28)23-11-15-5-3-2-4-6-15)19(21)27(26-14)13-16-7-9-17(22)10-8-16/h2-10,12H,11,13H2,1H3,(H2,23,25,28)