N-[1-(benzotriazol-1-yl)-2-ethyl-hexyl]benzenecarbothioamide

Systemtic Name: N-[1-(benzotriazol-1-yl)-2-ethyl-hexyl]benzenecarbothioamide Openeye Name: N-[1-(benzotriazol-1-yl)-2-ethyl-hexyl]benzenecarbothioamide CAS Name: N-[1-(1-benzotriazolyl)-2-ethylhexyl]benzenecarbothioamide IUPAC Name: N-[1-(benzotriazol-1-yl)-2-ethylhexyl]benzenecarbothioamide Traditional Name: N-[1-(benzotriazol-1-yl)-2-ethyl-hexyl]thiobenzamide Formula: C21H26N4S MolecularWeight: 366.52294

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(CC)C(NC(=S)C1=CC=CC=C1)N2C3=CC=CC=C3N=N2

Isomeric SMILES

CCCCC(CC)C(NC(=S)C1=CC=CC=C1)N2C3=CC=CC=C3N=N2

InChI

InChI=1S/C21H26N4S/c1-3-5-11-16(4-2)20(22-21(26)17-12-7-6-8-13-17)25-19-15-10-9-14-18(19)23-24-25/h6-10,12-16,20H,3-5,11H2,1-2H3,(H,22,26)