N-[[6-methyl-2-(4-methylphenyl)benzotriazol-5-yl]carbamothioyl]butanamide

Systemtic Name: N-[[6-methyl-2-(4-methylphenyl)benzotriazol-5-yl]carbamothioyl]butanamide Openeye Name: N-[[6-methyl-2-(p-tolyl)benzotriazol-5-yl]carbamothioyl]butanamide CAS Name: N-[[[6-methyl-2-(4-methylphenyl)-5-benzotriazolyl]amino]-sulfanylidenemethyl]butanamide IUPAC Name: N-[[6-methyl-2-(4-methylphenyl)benzotriazol-5-yl]carbamothioyl]butanamide Traditional Name: N-[[6-methyl-2-(p-tolyl)benzotriazol-5-yl]thiocarbamoyl]butyramide Formula: C19H21N5OS MolecularWeight: 367.46794

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(=O)NC(=S)NC1=CC2=NN(N=C2C=C1C)C3=CC=C(C=C3)C

Isomeric SMILES

CCCC(=O)NC(=S)NC1=CC2=NN(N=C2C=C1C)C3=CC=C(C=C3)C

InChI

InChI=1S/C19H21N5OS/c1-4-5-18(25)21-19(26)20-15-11-17-16(10-13(15)3)22-24(23-17)14-8-6-12(2)7-9-14/h6-11H,4-5H2,1-3H3,(H2,20,21,25,26)