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

Systemtic Name: 3-chloranyl-4-methyl-N-[1-[4-(1,2,4-triazol-1-yl)phenyl]ethyl]-1-benzothiophene-2-carboxamide Openeye Name: 3-chloro-4-methyl-N-[1-[4-(1,2,4-triazol-1-yl)phenyl]ethyl]benzothiophene-2-carboxamide CAS Name: 3-chloro-4-methyl-N-[1-[4-(1,2,4-triazol-1-yl)phenyl]ethyl]-1-benzothiophene-2-carboxamide IUPAC Name: 3-chloro-4-methyl-N-[1-[4-(1,2,4-triazol-1-yl)phenyl]ethyl]-1-benzothiophene-2-carboxamide Traditional Name: 3-chloro-4-methyl-N-[1-[4-(1,2,4-triazol-1-yl)phenyl]ethyl]benzothiophene-2-carboxamide Formula: C20H17ClN4OS MolecularWeight: 396.89318

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C2C(=CC=C1)SC(=C2Cl)C(=O)NC(C)C3=CC=C(C=C3)N4C=NC=N4

Isomeric SMILES

CC1=C2C(=CC=C1)SC(=C2Cl)C(=O)NC(C)C3=CC=C(C=C3)N4C=NC=N4

InChI

InChI=1S/C20H17ClN4OS/c1-12-4-3-5-16-17(12)18(21)19(27-16)20(26)24-13(2)14-6-8-15(9-7-14)25-11-22-10-23-25/h3-11,13H,1-2H3,(H,24,26)