2,2-dimethyl-N-[(2-phenylbenzotriazol-5-yl)carbamothioyl]propanamide

Systemtic Name: 2,2-dimethyl-N-[(2-phenylbenzotriazol-5-yl)carbamothioyl]propanamide Openeye Name: 2,2-dimethyl-N-[(2-phenylbenzotriazol-5-yl)carbamothioyl]propanamide CAS Name: 2,2-dimethyl-N-[[(2-phenyl-5-benzotriazolyl)amino]-sulfanylidenemethyl]propanamide IUPAC Name: 2,2-dimethyl-N-[(2-phenylbenzotriazol-5-yl)carbamothioyl]propanamide Traditional Name: 2,2-dimethyl-N-[(2-phenylbenzotriazol-5-yl)thiocarbamoyl]propionamide Formula: C18H19N5OS MolecularWeight: 353.44136

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H19N5OS/c1-18(2,3)16(24)20-17(25)19-12-9-10-14-15(11-12)22-23(21-14)13-7-5-4-6-8-13/h4-11H,1-3H3,(H2,19,20,24,25)