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

Systemtic Name: N-(6-methoxy-1,3-benzothiazol-2-yl)-2-[(1-phenyl-1,2,3,4-tetrazol-5-yl)sulfanyl]butanamide Openeye Name: N-(6-methoxy-1,3-benzothiazol-2-yl)-2-(1-phenyltetrazol-5-yl)sulfanyl-butanamide CAS Name: N-(6-methoxy-1,3-benzothiazol-2-yl)-2-[(1-phenyl-5-tetrazolyl)thio]butanamide IUPAC Name: N-(6-methoxy-1,3-benzothiazol-2-yl)-2-(1-phenyltetrazol-5-yl)sulfanylbutanamide Traditional Name: N-(6-methoxy-1,3-benzothiazol-2-yl)-2-[(1-phenyltetrazol-5-yl)thio]butyramide Formula: C19H18N6O2S2 MolecularWeight: 426.51522

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C(=O)NC1=NC2=C(S1)C=C(C=C2)OC)SC3=NN=NN3C4=CC=CC=C4

Isomeric SMILES

CCC(C(=O)NC1=NC2=C(S1)C=C(C=C2)OC)SC3=NN=NN3C4=CC=CC=C4

InChI

InChI=1S/C19H18N6O2S2/c1-3-15(29-19-22-23-24-25(19)12-7-5-4-6-8-12)17(26)21-18-20-14-10-9-13(27-2)11-16(14)28-18/h4-11,15H,3H2,1-2H3,(H,20,21,26)