N-(2-adamantyl)-5-(3-bromophenyl)-3,4-dihydropyrazole-2-carbothioamide

Systemtic Name: N-(2-adamantyl)-5-(3-bromophenyl)-3,4-dihydropyrazole-2-carbothioamide Openeye Name: N-(2-adamantyl)-5-(3-bromophenyl)-3,4-dihydropyrazole-2-carbothioamide CAS Name: N-(2-adamantyl)-5-(3-bromophenyl)-3,4-dihydropyrazole-2-carbothioamide IUPAC Name: N-(2-adamantyl)-5-(3-bromophenyl)-3,4-dihydropyrazole-2-carbothioamide Traditional Name: N-(2-adamantyl)-3-(3-bromophenyl)-2-pyrazoline-1-carbothioamide Formula: C20H24BrN3S MolecularWeight: 418.39366

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(N=C1C2=CC(=CC=C2)Br)C(=S)NC3C4CC5CC(C4)CC3C5

Isomeric SMILES

C1CN(N=C1C2=CC(=CC=C2)Br)C(=S)NC3C4CC5CC(C4)CC3C5

InChI

InChI=1S/C20H24BrN3S/c21-17-3-1-2-14(11-17)18-4-5-24(23-18)20(25)22-19-15-7-12-6-13(9-15)10-16(19)8-12/h1-3,11-13,15-16,19H,4-10H2,(H,22,25)