2-chloranyl-2-[(1-dodecyl-4-phenyl-5H-1,2,3,4-tetrazol-5-yl)sulfanyl]-1-phenyl-ethanone

Systemtic Name: 2-chloranyl-2-[(1-dodecyl-4-phenyl-5H-1,2,3,4-tetrazol-5-yl)sulfanyl]-1-phenyl-ethanone Openeye Name: 2-chloro-2-[(1-dodecyl-4-phenyl-5H-tetrazol-5-yl)sulfanyl]-1-phenyl-ethanone CAS Name: 2-chloro-2-[(1-dodecyl-4-phenyl-5H-tetrazol-5-yl)thio]-1-phenylethanone IUPAC Name: 2-chloro-2-[(1-dodecyl-4-phenyl-5H-tetrazol-5-yl)sulfanyl]-1-phenylethanone Traditional Name: 2-chloro-2-[(1-lauryl-4-phenyl-5H-tetrazol-5-yl)thio]-1-phenyl-ethanone Formula: C27H37ClN4OS MolecularWeight: 501.12688

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCN1C(N(N=N1)C2=CC=CC=C2)SC(C(=O)C3=CC=CC=C3)Cl

Isomeric SMILES

CCCCCCCCCCCCN1C(N(N=N1)C2=CC=CC=C2)SC(C(=O)C3=CC=CC=C3)Cl

InChI

InChI=1S/C27H37ClN4OS/c1-2-3-4-5-6-7-8-9-10-17-22-31-27(32(30-29-31)24-20-15-12-16-21-24)34-26(28)25(33)23-18-13-11-14-19-23/h11-16,18-21,26-27H,2-10,17,22H2,1H3