1-(3-cyano-4,5-dimethyl-thiophen-2-yl)-3-(3-ethynylphenyl)urea

Systemtic Name: 1-(3-cyano-4,5-dimethyl-thiophen-2-yl)-3-(3-ethynylphenyl)urea Openeye Name: 1-(3-cyano-4,5-dimethyl-2-thienyl)-3-(3-ethynylphenyl)urea CAS Name: 1-(3-cyano-4,5-dimethyl-2-thiophenyl)-3-(3-ethynylphenyl)urea IUPAC Name: 1-(3-cyano-4,5-dimethylthiophen-2-yl)-3-(3-ethynylphenyl)urea Traditional Name: 1-(3-cyano-4,5-dimethyl-2-thienyl)-3-(3-ethynylphenyl)urea Formula: C16H13N3OS MolecularWeight: 295.35892

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC(=C1C#N)NC(=O)NC2=CC=CC(=C2)C#C)C

Isomeric SMILES

CC1=C(SC(=C1C#N)NC(=O)NC2=CC=CC(=C2)C#C)C

InChI

InChI=1S/C16H13N3OS/c1-4-12-6-5-7-13(8-12)18-16(20)19-15-14(9-17)10(2)11(3)21-15/h1,5-8H,2-3H3,(H2,18,19,20)