N-(1,3-benzothiazol-2-yl)-2-[(5-oxidanylidene-4-phenethyl-1H-1,2,4-triazol-3-yl)sulfanyl]propanamide

Systemtic Name: N-(1,3-benzothiazol-2-yl)-2-[(5-oxidanylidene-4-phenethyl-1H-1,2,4-triazol-3-yl)sulfanyl]propanamide Openeye Name: N-(1,3-benzothiazol-2-yl)-2-[(5-oxo-4-phenethyl-1H-1,2,4-triazol-3-yl)sulfanyl]propanamide CAS Name: N-(1,3-benzothiazol-2-yl)-2-[(5-oxo-4-phenethyl-1H-1,2,4-triazol-3-yl)thio]propanamide IUPAC Name: N-(1,3-benzothiazol-2-yl)-2-[(5-oxo-4-phenethyl-1H-1,2,4-triazol-3-yl)sulfanyl]propanamide Traditional Name: N-(1,3-benzothiazol-2-yl)-2-[(5-keto-4-phenethyl-1H-1,2,4-triazol-3-yl)thio]propionamide Formula: C20H19N5O2S2 MolecularWeight: 425.52716

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=NC2=CC=CC=C2S1)SC3=NNC(=O)N3CCC4=CC=CC=C4

Isomeric SMILES

CC(C(=O)NC1=NC2=CC=CC=C2S1)SC3=NNC(=O)N3CCC4=CC=CC=C4

InChI

InChI=1S/C20H19N5O2S2/c1-13(17(26)22-18-21-15-9-5-6-10-16(15)29-18)28-20-24-23-19(27)25(20)12-11-14-7-3-2-4-8-14/h2-10,13H,11-12H2,1H3,(H,23,27)(H,21,22,26)