1-(3-ethylpent-1-yn-3-yl)-3-(4-nitrophenyl)thiourea

Systemtic Name: 1-(3-ethylpent-1-yn-3-yl)-3-(4-nitrophenyl)thiourea Openeye Name: 1-(1,1-diethylprop-2-ynyl)-3-(4-nitrophenyl)thiourea CAS Name: 1-(3-ethylpent-1-yn-3-yl)-3-(4-nitrophenyl)thiourea IUPAC Name: 1-(3-ethylpent-1-yn-3-yl)-3-(4-nitrophenyl)thiourea Traditional Name: 1-(1,1-diethylprop-2-ynyl)-3-(4-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=C(C=C1)[N+](=O)[O-]

Isomeric SMILES

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

InChI

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