1-butyl-3-(1-methylbenzotriazol-4-yl)sulfonyl-urea

Systemtic Name: 1-butyl-3-(1-methylbenzotriazol-4-yl)sulfonyl-urea Openeye Name: 1-butyl-3-(1-methylbenzotriazol-4-yl)sulfonyl-urea CAS Name: 1-butyl-3-[(1-methyl-4-benzotriazolyl)sulfonyl]urea IUPAC Name: 1-butyl-3-(1-methylbenzotriazol-4-yl)sulfonylurea Traditional Name: 1-butyl-3-(1-methylbenzotriazol-4-yl)sulfonyl-urea Formula: C12H17N5O3S MolecularWeight: 311.36008

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Descriptors Computed from Structure

Canonical SMILES:

CCCCNC(=O)NS(=O)(=O)C1=CC=CC2=C1N=NN2C

Isomeric SMILES

CCCCNC(=O)NS(=O)(=O)C1=CC=CC2=C1N=NN2C

InChI

InChI=1S/C12H17N5O3S/c1-3-4-8-13-12(18)15-21(19,20)10-7-5-6-9-11(10)14-16-17(9)2/h5-7H,3-4,8H2,1-2H3,(H2,13,15,18)