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

Systemtic Name: N-[[2-(3-chloranyl-4-methyl-phenyl)benzotriazol-5-yl]carbamothioyl]propanamide Openeye Name: N-[[2-(3-chloro-4-methyl-phenyl)benzotriazol-5-yl]carbamothioyl]propanamide CAS Name: N-[[[2-(3-chloro-4-methylphenyl)-5-benzotriazolyl]amino]-sulfanylidenemethyl]propanamide IUPAC Name: N-[[2-(3-chloro-4-methylphenyl)benzotriazol-5-yl]carbamothioyl]propanamide Traditional Name: N-[[2-(3-chloro-4-methyl-phenyl)benzotriazol-5-yl]thiocarbamoyl]propionamide Formula: C17H16ClN5OS MolecularWeight: 373.85984

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H16ClN5OS/c1-3-16(24)20-17(25)19-11-5-7-14-15(8-11)22-23(21-14)12-6-4-10(2)13(18)9-12/h4-9H,3H2,1-2H3,(H2,19,20,24,25)