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

Systemtic Name: 3-butyl-1-[(E)-(5-chloranyl-3-methyl-1-phenyl-pyrazol-4-yl)methylideneamino]-1-methyl-thiourea Openeye Name: 3-butyl-1-[(E)-(5-chloro-3-methyl-1-phenyl-pyrazol-4-yl)methyleneamino]-1-methyl-thiourea CAS Name: 3-butyl-1-[(E)-(5-chloro-3-methyl-1-phenyl-4-pyrazolyl)methylideneamino]-1-methylthiourea IUPAC Name: 3-butyl-1-[(E)-(5-chloro-3-methyl-1-phenylpyrazol-4-yl)methylideneamino]-1-methylthiourea Traditional Name: 3-butyl-1-[(E)-(5-chloro-3-methyl-1-phenyl-pyrazol-4-yl)methyleneamino]-1-methyl-thiourea Formula: C17H22ClN5S MolecularWeight: 363.90808

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

CCCCNC(=S)N(C)/N=C/C1=C(N(N=C1C)C2=CC=CC=C2)Cl

InChI

InChI=1S/C17H22ClN5S/c1-4-5-11-19-17(24)22(3)20-12-15-13(2)21-23(16(15)18)14-9-7-6-8-10-14/h6-10,12H,4-5,11H2,1-3H3,(H,19,24)/b20-12+