N-[1-(benzotriazol-1-yl)-3-phenyl-propyl]benzenecarbothioamide

Systemtic Name: N-[1-(benzotriazol-1-yl)-3-phenyl-propyl]benzenecarbothioamide Openeye Name: N-[1-(benzotriazol-1-yl)-3-phenyl-propyl]benzenecarbothioamide CAS Name: N-[1-(1-benzotriazolyl)-3-phenylpropyl]benzenecarbothioamide IUPAC Name: N-[1-(benzotriazol-1-yl)-3-phenylpropyl]benzenecarbothioamide Traditional Name: N-[1-(benzotriazol-1-yl)-3-phenyl-propyl]thiobenzamide Formula: C22H20N4S MolecularWeight: 372.486

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CCC(NC(=S)C2=CC=CC=C2)N3C4=CC=CC=C4N=N3

Isomeric SMILES

C1=CC=C(C=C1)CCC(NC(=S)C2=CC=CC=C2)N3C4=CC=CC=C4N=N3

InChI

InChI=1S/C22H20N4S/c27-22(18-11-5-2-6-12-18)23-21(16-15-17-9-3-1-4-10-17)26-20-14-8-7-13-19(20)24-25-26/h1-14,21H,15-16H2,(H,23,27)