S-phenethyl N-[2-oxidanylidene-1-(5-phenylsulfanyl-1,2,3,4-tetrazol-2-yl)pentan-3-yl]carbamothioate

Systemtic Name: S-phenethyl N-[2-oxidanylidene-1-(5-phenylsulfanyl-1,2,3,4-tetrazol-2-yl)pentan-3-yl]carbamothioate Openeye Name: S-phenethyl N-[1-ethyl-2-oxo-3-(5-phenylsulfanyltetrazol-2-yl)propyl]carbamothioate CAS Name: N-[2-oxo-1-[5-(phenylthio)-2-tetrazolyl]pentan-3-yl]carbamothioic acid S-phenethyl ester IUPAC Name: S-phenethyl N-[2-oxo-1-(5-phenylsulfanyltetrazol-2-yl)pentan-3-yl]carbamothioate Traditional Name: N-[1-ethyl-2-keto-3-[5-(phenylthio)tetrazol-2-yl]propyl]thiocarbamic acid S-phenethyl ester Formula: C21H23N5O2S2 MolecularWeight: 441.56962

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C(=O)CN1N=C(N=N1)SC2=CC=CC=C2)NC(=O)SCCC3=CC=CC=C3

Isomeric SMILES

CCC(C(=O)CN1N=C(N=N1)SC2=CC=CC=C2)NC(=O)SCCC3=CC=CC=C3

InChI

InChI=1S/C21H23N5O2S2/c1-2-18(22-21(28)29-14-13-16-9-5-3-6-10-16)19(27)15-26-24-20(23-25-26)30-17-11-7-4-8-12-17/h3-12,18H,2,13-15H2,1H3,(H,22,28)