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1-(3-ethylpent-1-yn-3-yl)-3-(3-nitrophenyl)thiourea

1-(3-ethylpent-1-yn-3-yl)-3-(3-nitrophenyl)thiourea

Systemtic Name:1-(3-ethylpent-1-yn-3-yl)-3-(3-nitrophenyl)thiourea
Openeye Name:1-(1,1-diethylprop-2-ynyl)-3-(3-nitrophenyl)thiourea
CAS Name:1-(3-ethylpent-1-yn-3-yl)-3-(3-nitrophenyl)thiourea
IUPAC Name:1-(3-ethylpent-1-yn-3-yl)-3-(3-nitrophenyl)thiourea
Traditional Name:1-(1,1-diethylprop-2-ynyl)-3-(3-nitrophenyl)thiourea
Formula: C14H17N3O2S
MolecularWeight: 291.36868
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Descriptors Computed from Structure

Canonical SMILES:

CCC(CC)(C#C)NC(=S)NC1=CC(=CC=C1)[N+](=O)[O-]


Isomeric SMILES

CCC(CC)(C#C)NC(=S)NC1=CC(=CC=C1)[N+](=O)[O-]


InChI

InChI=1S/C14H17N3O2S/c1-4-14(5-2,6-3)16-13(20)15-11-8-7-9-12(10-11)17(18)19/h1,7-10H,5-6H2,2-3H3,(H2,15,16,20)


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