(1-propyl-1,2,3,4-tetrazol-5-yl)methyl 4-(1,3-thiazol-4-ylmethylsulfanyl)benzoate

Systemtic Name: (1-propyl-1,2,3,4-tetrazol-5-yl)methyl 4-(1,3-thiazol-4-ylmethylsulfanyl)benzoate Openeye Name: (1-propyltetrazol-5-yl)methyl 4-(thiazol-4-ylmethylsulfanyl)benzoate CAS Name: 4-(4-thiazolylmethylthio)benzoic acid (1-propyl-5-tetrazolyl)methyl ester IUPAC Name: (1-propyltetrazol-5-yl)methyl 4-(1,3-thiazol-4-ylmethylsulfanyl)benzoate Traditional Name: 4-(thiazol-4-ylmethylthio)benzoic acid (1-propyltetrazol-5-yl)methyl ester Formula: C16H17N5O2S2 MolecularWeight: 375.46848

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCN1C(=NN=N1)COC(=O)C2=CC=C(C=C2)SCC3=CSC=N3

Isomeric SMILES

CCCN1C(=NN=N1)COC(=O)C2=CC=C(C=C2)SCC3=CSC=N3

InChI

InChI=1S/C16H17N5O2S2/c1-2-7-21-15(18-19-20-21)8-23-16(22)12-3-5-14(6-4-12)25-10-13-9-24-11-17-13/h3-6,9,11H,2,7-8,10H2,1H3