N-[[2-(3-chloranyl-4-methyl-phenyl)benzotriazol-5-yl]carbamothioyl]pentanamide

Systemtic Name: N-[[2-(3-chloranyl-4-methyl-phenyl)benzotriazol-5-yl]carbamothioyl]pentanamide Openeye Name: N-[[2-(3-chloro-4-methyl-phenyl)benzotriazol-5-yl]carbamothioyl]pentanamide CAS Name: N-[[[2-(3-chloro-4-methylphenyl)-5-benzotriazolyl]amino]-sulfanylidenemethyl]pentanamide IUPAC Name: N-[[2-(3-chloro-4-methylphenyl)benzotriazol-5-yl]carbamothioyl]pentanamide Traditional Name: N-[[2-(3-chloro-4-methyl-phenyl)benzotriazol-5-yl]thiocarbamoyl]valeramide Formula: C19H20ClN5OS MolecularWeight: 401.913

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(=O)NC(=S)NC1=CC2=NN(N=C2C=C1)C3=CC(=C(C=C3)C)Cl

Isomeric SMILES

CCCCC(=O)NC(=S)NC1=CC2=NN(N=C2C=C1)C3=CC(=C(C=C3)C)Cl

InChI

InChI=1S/C19H20ClN5OS/c1-3-4-5-18(26)22-19(27)21-13-7-9-16-17(10-13)24-25(23-16)14-8-6-12(2)15(20)11-14/h6-11H,3-5H2,1-2H3,(H2,21,22,26,27)