N-(6-methoxy-1,3-benzothiazol-2-yl)-3-[(1-phenyl-1,2,3,4-tetrazol-5-yl)sulfanyl]propanamide

Systemtic Name: N-(6-methoxy-1,3-benzothiazol-2-yl)-3-[(1-phenyl-1,2,3,4-tetrazol-5-yl)sulfanyl]propanamide Openeye Name: N-(6-methoxy-1,3-benzothiazol-2-yl)-3-(1-phenyltetrazol-5-yl)sulfanyl-propanamide CAS Name: N-(6-methoxy-1,3-benzothiazol-2-yl)-3-[(1-phenyl-5-tetrazolyl)thio]propanamide IUPAC Name: N-(6-methoxy-1,3-benzothiazol-2-yl)-3-(1-phenyltetrazol-5-yl)sulfanylpropanamide Traditional Name: N-(6-methoxy-1,3-benzothiazol-2-yl)-3-[(1-phenyltetrazol-5-yl)thio]propionamide Formula: C18H16N6O2S2 MolecularWeight: 412.48864

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC2=C(C=C1)N=C(S2)NC(=O)CCSC3=NN=NN3C4=CC=CC=C4

Isomeric SMILES

COC1=CC2=C(C=C1)N=C(S2)NC(=O)CCSC3=NN=NN3C4=CC=CC=C4

InChI

InChI=1S/C18H16N6O2S2/c1-26-13-7-8-14-15(11-13)28-17(19-14)20-16(25)9-10-27-18-21-22-23-24(18)12-5-3-2-4-6-12/h2-8,11H,9-10H2,1H3,(H,19,20,25)