N-[(1R)-1-(benzotriazol-1-yl)propyl]benzenecarbothioamide

Systemtic Name: N-[(1R)-1-(benzotriazol-1-yl)propyl]benzenecarbothioamide Openeye Name: N-[(1R)-1-(benzotriazol-1-yl)propyl]benzenecarbothioamide CAS Name: N-[(1R)-1-(1-benzotriazolyl)propyl]benzenecarbothioamide IUPAC Name: N-[(1R)-1-(benzotriazol-1-yl)propyl]benzenecarbothioamide Traditional Name: N-[(1R)-1-(benzotriazol-1-yl)propyl]thiobenzamide Formula: C16H16N4S MolecularWeight: 296.39004

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Descriptors Computed from Structure

Canonical SMILES:

CCC(NC(=S)C1=CC=CC=C1)N2C3=CC=CC=C3N=N2

Isomeric SMILES

CC[C@H](NC(=S)C1=CC=CC=C1)N2C3=CC=CC=C3N=N2

InChI

InChI=1S/C16H16N4S/c1-2-15(17-16(21)12-8-4-3-5-9-12)20-14-11-7-6-10-13(14)18-19-20/h3-11,15H,2H2,1H3,(H,17,21)/t15-/m1/s1