4-(5-chloranyl-6-oxidanylidene-1-phenyl-pyridazin-4-yl)-N-prop-2-enyl-piperazine-1-carbothioamide

Systemtic Name: 4-(5-chloranyl-6-oxidanylidene-1-phenyl-pyridazin-4-yl)-N-prop-2-enyl-piperazine-1-carbothioamide Openeye Name: N-allyl-4-(5-chloro-6-oxo-1-phenyl-pyridazin-4-yl)piperazine-1-carbothioamide CAS Name: 4-(5-chloro-6-oxo-1-phenyl-4-pyridazinyl)-N-prop-2-enyl-1-piperazinecarbothioamide IUPAC Name: 4-(5-chloro-6-oxo-1-phenylpyridazin-4-yl)-N-prop-2-enylpiperazine-1-carbothioamide Traditional Name: N-allyl-4-(5-chloro-6-keto-1-phenyl-pyridazin-4-yl)piperazine-1-carbothioamide Formula: C18H20ClN5OS MolecularWeight: 389.9023

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Descriptors Computed from Structure

Canonical SMILES:

C=CCNC(=S)N1CCN(CC1)C2=C(C(=O)N(N=C2)C3=CC=CC=C3)Cl

Isomeric SMILES

C=CCNC(=S)N1CCN(CC1)C2=C(C(=O)N(N=C2)C3=CC=CC=C3)Cl

InChI

InChI=1S/C18H20ClN5OS/c1-2-8-20-18(26)23-11-9-22(10-12-23)15-13-21-24(17(25)16(15)19)14-6-4-3-5-7-14/h2-7,13H,1,8-12H2,(H,20,26)