N-[(6-chloranyl-2-phenyl-benzotriazol-5-yl)carbamothioyl]hexanamide

Systemtic Name: N-[(6-chloranyl-2-phenyl-benzotriazol-5-yl)carbamothioyl]hexanamide Openeye Name: N-[(6-chloro-2-phenyl-benzotriazol-5-yl)carbamothioyl]hexanamide CAS Name: N-[[(6-chloro-2-phenyl-5-benzotriazolyl)amino]-sulfanylidenemethyl]hexanamide IUPAC Name: N-[(6-chloro-2-phenylbenzotriazol-5-yl)carbamothioyl]hexanamide Traditional Name: N-[(6-chloro-2-phenyl-benzotriazol-5-yl)thiocarbamoyl]hexanamide Formula: C19H20ClN5OS MolecularWeight: 401.913

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC(=O)NC(=S)NC1=CC2=NN(N=C2C=C1Cl)C3=CC=CC=C3

Isomeric SMILES

CCCCCC(=O)NC(=S)NC1=CC2=NN(N=C2C=C1Cl)C3=CC=CC=C3

InChI

InChI=1S/C19H20ClN5OS/c1-2-3-5-10-18(26)22-19(27)21-15-12-17-16(11-14(15)20)23-25(24-17)13-8-6-4-7-9-13/h4,6-9,11-12H,2-3,5,10H2,1H3,(H2,21,22,26,27)