N-benzo[e][1,3]benzothiazol-2-yl-2-[(4-phenyl-5-pyridin-3-yl-1,2,4-triazol-3-yl)sulfanyl]ethanamide

Systemtic Name: N-benzo[e][1,3]benzothiazol-2-yl-2-[(4-phenyl-5-pyridin-3-yl-1,2,4-triazol-3-yl)sulfanyl]ethanamide Openeye Name: N-benzo[e][1,3]benzothiazol-2-yl-2-[[4-phenyl-5-(3-pyridyl)-1,2,4-triazol-3-yl]sulfanyl]acetamide CAS Name: N-(2-benzo[e][1,3]benzothiazolyl)-2-[[4-phenyl-5-(3-pyridinyl)-1,2,4-triazol-3-yl]thio]acetamide IUPAC Name: N-benzo[e][1,3]benzothiazol-2-yl-2-[(4-phenyl-5-pyridin-3-yl-1,2,4-triazol-3-yl)sulfanyl]acetamide Traditional Name: N-benzo[e][1,3]benzothiazol-2-yl-2-[[4-phenyl-5-(3-pyridyl)-1,2,4-triazol-3-yl]thio]acetamide Formula: C26H18N6OS2 MolecularWeight: 494.59072

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)N2C(=NN=C2SCC(=O)NC3=NC4=C(S3)C=CC5=CC=CC=C54)C6=CN=CC=C6

Isomeric SMILES

C1=CC=C(C=C1)N2C(=NN=C2SCC(=O)NC3=NC4=C(S3)C=CC5=CC=CC=C54)C6=CN=CC=C6

InChI

InChI=1S/C26H18N6OS2/c33-22(28-25-29-23-20-11-5-4-7-17(20)12-13-21(23)35-25)16-34-26-31-30-24(18-8-6-14-27-15-18)32(26)19-9-2-1-3-10-19/h1-15H,16H2,(H,28,29,33)