3-methyl-N-[(2-phenylbenzotriazol-5-yl)carbamothioyl]benzamide

Systemtic Name: 3-methyl-N-[(2-phenylbenzotriazol-5-yl)carbamothioyl]benzamide Openeye Name: 3-methyl-N-[(2-phenylbenzotriazol-5-yl)carbamothioyl]benzamide CAS Name: 3-methyl-N-[[(2-phenyl-5-benzotriazolyl)amino]-sulfanylidenemethyl]benzamide IUPAC Name: 3-methyl-N-[(2-phenylbenzotriazol-5-yl)carbamothioyl]benzamide Traditional Name: 3-methyl-N-[(2-phenylbenzotriazol-5-yl)thiocarbamoyl]benzamide Formula: C21H17N5OS MolecularWeight: 387.45758

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC(=C1)C(=O)NC(=S)NC2=CC3=NN(N=C3C=C2)C4=CC=CC=C4

Isomeric SMILES

CC1=CC=CC(=C1)C(=O)NC(=S)NC2=CC3=NN(N=C3C=C2)C4=CC=CC=C4

InChI

InChI=1S/C21H17N5OS/c1-14-6-5-7-15(12-14)20(27)23-21(28)22-16-10-11-18-19(13-16)25-26(24-18)17-8-3-2-4-9-17/h2-13H,1H3,(H2,22,23,27,28)