5-(3,4-dimethylphenyl)-3-phenyl-3,4-dihydropyrazole-2-carbothioamide

Systemtic Name: 5-(3,4-dimethylphenyl)-3-phenyl-3,4-dihydropyrazole-2-carbothioamide Openeye Name: 5-(3,4-dimethylphenyl)-3-phenyl-3,4-dihydropyrazole-2-carbothioamide CAS Name: 5-(3,4-dimethylphenyl)-3-phenyl-3,4-dihydropyrazole-2-carbothioamide IUPAC Name: 5-(3,4-dimethylphenyl)-3-phenyl-3,4-dihydropyrazole-2-carbothioamide Traditional Name: 3-(3,4-dimethylphenyl)-5-phenyl-2-pyrazoline-1-carbothioamide Formula: C18H19N3S MolecularWeight: 309.42856

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C2=NN(C(C2)C3=CC=CC=C3)C(=S)N)C

Isomeric SMILES

CC1=C(C=C(C=C1)C2=NN(C(C2)C3=CC=CC=C3)C(=S)N)C

InChI

InChI=1S/C18H19N3S/c1-12-8-9-15(10-13(12)2)16-11-17(21(20-16)18(19)22)14-6-4-3-5-7-14/h3-10,17H,11H2,1-2H3,(H2,19,22)