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

Systemtic Name: N-[(6-chloranyl-2-phenyl-benzotriazol-5-yl)carbamothioyl]pentanamide Openeye Name: N-[(6-chloro-2-phenyl-benzotriazol-5-yl)carbamothioyl]pentanamide CAS Name: N-[[(6-chloro-2-phenyl-5-benzotriazolyl)amino]-sulfanylidenemethyl]pentanamide IUPAC Name: N-[(6-chloro-2-phenylbenzotriazol-5-yl)carbamothioyl]pentanamide Traditional Name: N-[(6-chloro-2-phenyl-benzotriazol-5-yl)thiocarbamoyl]valeramide Formula: C18H18ClN5OS MolecularWeight: 387.88642

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H18ClN5OS/c1-2-3-9-17(25)21-18(26)20-14-11-16-15(10-13(14)19)22-24(23-16)12-7-5-4-6-8-12/h4-8,10-11H,2-3,9H2,1H3,(H2,20,21,25,26)