3-chloranyl-N-[4-[2-(1,2,4-triazol-1-yl)propanoylamino]phenyl]-1-benzothiophene-2-carboxamide

Systemtic Name: 3-chloranyl-N-[4-[2-(1,2,4-triazol-1-yl)propanoylamino]phenyl]-1-benzothiophene-2-carboxamide Openeye Name: 3-chloro-N-[4-[2-(1,2,4-triazol-1-yl)propanoylamino]phenyl]benzothiophene-2-carboxamide CAS Name: 3-chloro-N-[4-[[1-oxo-2-(1,2,4-triazol-1-yl)propyl]amino]phenyl]-1-benzothiophene-2-carboxamide IUPAC Name: 3-chloro-N-[4-[2-(1,2,4-triazol-1-yl)propanoylamino]phenyl]-1-benzothiophene-2-carboxamide Traditional Name: 3-chloro-N-[4-[2-(1,2,4-triazol-1-yl)propanoylamino]phenyl]benzothiophene-2-carboxamide Formula: C20H16ClN5O2S MolecularWeight: 425.89134

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=CC=C(C=C1)NC(=O)C2=C(C3=CC=CC=C3S2)Cl)N4C=NC=N4

Isomeric SMILES

CC(C(=O)NC1=CC=C(C=C1)NC(=O)C2=C(C3=CC=CC=C3S2)Cl)N4C=NC=N4

InChI

InChI=1S/C20H16ClN5O2S/c1-12(26-11-22-10-23-26)19(27)24-13-6-8-14(9-7-13)25-20(28)18-17(21)15-4-2-3-5-16(15)29-18/h2-12H,1H3,(H,24,27)(H,25,28)