1-(3-ethylpent-1-yn-3-yl)-3-(2-methoxy-4-nitro-phenyl)thiourea

Systemtic Name: 1-(3-ethylpent-1-yn-3-yl)-3-(2-methoxy-4-nitro-phenyl)thiourea Openeye Name: 1-(1,1-diethylprop-2-ynyl)-3-(2-methoxy-4-nitro-phenyl)thiourea CAS Name: 1-(3-ethylpent-1-yn-3-yl)-3-(2-methoxy-4-nitrophenyl)thiourea IUPAC Name: 1-(3-ethylpent-1-yn-3-yl)-3-(2-methoxy-4-nitrophenyl)thiourea Traditional Name: 1-(1,1-diethylprop-2-ynyl)-3-(2-methoxy-4-nitro-phenyl)thiourea Formula: C15H19N3O3S MolecularWeight: 321.39466

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H19N3O3S/c1-5-15(6-2,7-3)17-14(22)16-12-9-8-11(18(19)20)10-13(12)21-4/h1,8-10H,6-7H2,2-4H3,(H2,16,17,22)