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

Systemtic Name: N-[(2-phenylbenzotriazol-5-yl)carbamothioyl]propanamide Openeye Name: N-[(2-phenylbenzotriazol-5-yl)carbamothioyl]propanamide CAS Name: N-[[(2-phenyl-5-benzotriazolyl)amino]-sulfanylidenemethyl]propanamide IUPAC Name: N-[(2-phenylbenzotriazol-5-yl)carbamothioyl]propanamide Traditional Name: N-[(2-phenylbenzotriazol-5-yl)thiocarbamoyl]propionamide Formula: C16H15N5OS MolecularWeight: 325.3882

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H15N5OS/c1-2-15(22)18-16(23)17-11-8-9-13-14(10-11)20-21(19-13)12-6-4-3-5-7-12/h3-10H,2H2,1H3,(H2,17,18,22,23)