4-(2-azanylethyl)-5-(3-chlorophenyl)-3-oxidanylidene-1H-pyrazole-2-carbothioamide; methane

Systemtic Name: 4-(2-azanylethyl)-5-(3-chlorophenyl)-3-oxidanylidene-1H-pyrazole-2-carbothioamide; methane Openeye Name: 4-(2-aminoethyl)-5-(3-chlorophenyl)-3-oxo-1H-pyrazole-2-carbothioamide; methane CAS Name: 4-(2-aminoethyl)-5-(3-chlorophenyl)-3-oxo-1H-pyrazole-2-carbothioamide; methane IUPAC Name: 4-(2-aminoethyl)-5-(3-chlorophenyl)-3-oxo-1H-pyrazole-2-carbothioamide; methane Traditional Name: 4-(2-aminoethyl)-3-(3-chlorophenyl)-5-keto-3-pyrazoline-1-carbothioamide; methane Formula: C13H17ClN4OS MolecularWeight: 312.81828

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Descriptors Computed from Structure

Canonical SMILES:

C.C1=CC(=CC(=C1)Cl)C2=C(C(=O)N(N2)C(=S)N)CCN

Isomeric SMILES

C.C1=CC(=CC(=C1)Cl)C2=C(C(=O)N(N2)C(=S)N)CCN

InChI

InChI=1S/C12H13ClN4OS.CH4/c13-8-3-1-2-7(6-8)10-9(4-5-14)11(18)17(16-10)12(15)19;/h1-3,6,16H,4-5,14H2,(H2,15,19);1H4