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

Systemtic Name: N-[(6-chloranyl-2-phenyl-benzotriazol-5-yl)carbamothioyl]butanamide Openeye Name: N-[(6-chloro-2-phenyl-benzotriazol-5-yl)carbamothioyl]butanamide CAS Name: N-[[(6-chloro-2-phenyl-5-benzotriazolyl)amino]-sulfanylidenemethyl]butanamide IUPAC Name: N-[(6-chloro-2-phenylbenzotriazol-5-yl)carbamothioyl]butanamide Traditional Name: N-[(6-chloro-2-phenyl-benzotriazol-5-yl)thiocarbamoyl]butyramide Formula: C17H16ClN5OS MolecularWeight: 373.85984

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H16ClN5OS/c1-2-6-16(24)20-17(25)19-13-10-15-14(9-12(13)18)21-23(22-15)11-7-4-3-5-8-11/h3-5,7-10H,2,6H2,1H3,(H2,19,20,24,25)