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

Systemtic Name: N-[(6-chloranyl-2-phenyl-benzotriazol-5-yl)carbamothioyl]propanamide Openeye Name: N-[(6-chloro-2-phenyl-benzotriazol-5-yl)carbamothioyl]propanamide CAS Name: N-[[(6-chloro-2-phenyl-5-benzotriazolyl)amino]-sulfanylidenemethyl]propanamide IUPAC Name: N-[(6-chloro-2-phenylbenzotriazol-5-yl)carbamothioyl]propanamide Traditional Name: N-[(6-chloro-2-phenyl-benzotriazol-5-yl)thiocarbamoyl]propionamide Formula: C16H14ClN5OS MolecularWeight: 359.83326

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H14ClN5OS/c1-2-15(23)19-16(24)18-12-9-14-13(8-11(12)17)20-22(21-14)10-6-4-3-5-7-10/h3-9H,2H2,1H3,(H2,18,19,23,24)