1-butyl-3-[[4-(2,2-dicyanoethenyl)phenyl]carbamoyl]-1-methylsulfonyl-urea

Systemtic Name: 1-butyl-3-[[4-(2,2-dicyanoethenyl)phenyl]carbamoyl]-1-methylsulfonyl-urea Openeye Name: 1-butyl-3-[[4-(2,2-dicyanovinyl)phenyl]carbamoyl]-1-methylsulfonyl-urea CAS Name: 1-butyl-3-[[4-(2,2-dicyanoethenyl)anilino]-oxomethyl]-1-methylsulfonylurea IUPAC Name: 1-butyl-3-[[4-(2,2-dicyanoethenyl)phenyl]carbamoyl]-1-methylsulfonylurea Traditional Name: 1-butyl-3-[[4-(2,2-dicyanovinyl)phenyl]carbamoyl]-1-mesyl-urea Formula: C17H19N5O4S MolecularWeight: 389.42886

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN(C(=O)NC(=O)NC1=CC=C(C=C1)C=C(C#N)C#N)S(=O)(=O)C

Isomeric SMILES

CCCCN(C(=O)NC(=O)NC1=CC=C(C=C1)C=C(C#N)C#N)S(=O)(=O)C

InChI

InChI=1S/C17H19N5O4S/c1-3-4-9-22(27(2,25)26)17(24)21-16(23)20-15-7-5-13(6-8-15)10-14(11-18)12-19/h5-8,10H,3-4,9H2,1-2H3,(H2,20,21,23,24)