N-[[2-(4-methylphenyl)benzotriazol-5-yl]carbamothioyl]butanamide

Systemtic Name: N-[[2-(4-methylphenyl)benzotriazol-5-yl]carbamothioyl]butanamide Openeye Name: N-[[2-(p-tolyl)benzotriazol-5-yl]carbamothioyl]butanamide CAS Name: N-[[[2-(4-methylphenyl)-5-benzotriazolyl]amino]-sulfanylidenemethyl]butanamide IUPAC Name: N-[[2-(4-methylphenyl)benzotriazol-5-yl]carbamothioyl]butanamide Traditional Name: N-[[2-(p-tolyl)benzotriazol-5-yl]thiocarbamoyl]butyramide Formula: C18H19N5OS MolecularWeight: 353.44136

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H19N5OS/c1-3-4-17(24)20-18(25)19-13-7-10-15-16(11-13)22-23(21-15)14-8-5-12(2)6-9-14/h5-11H,3-4H2,1-2H3,(H2,19,20,24,25)