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2-[3-(3-bromophenyl)-1,5-dihydropyrazol-2-yl]heptanethioamide

2-[3-(3-bromophenyl)-1,5-dihydropyrazol-2-yl]heptanethioamide

Systemtic Name:2-[3-(3-bromophenyl)-1,5-dihydropyrazol-2-yl]heptanethioamide
Openeye Name:2-[3-(3-bromophenyl)-1,5-dihydropyrazol-2-yl]heptanethioamide
CAS Name:2-[3-(3-bromophenyl)-1,5-dihydropyrazol-2-yl]heptanethioamide
IUPAC Name:2-[3-(3-bromophenyl)-1,5-dihydropyrazol-2-yl]heptanethioamide
Traditional Name:2-[5-(3-bromophenyl)-3-pyrazolin-1-yl]thioenanthamide
Formula: C16H22BrN3S
MolecularWeight: 368.33498
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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC(C(=S)N)N1C(=CCN1)C2=CC(=CC=C2)Br


Isomeric SMILES

CCCCCC(C(=S)N)N1C(=CCN1)C2=CC(=CC=C2)Br


InChI

InChI=1S/C16H22BrN3S/c1-2-3-4-8-15(16(18)21)20-14(9-10-19-20)12-6-5-7-13(17)11-12/h5-7,9,11,15,19H,2-4,8,10H2,1H3,(H2,18,21)


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