3-chloranyl-6-methyl-N-pyren-1-yl-1-benzothiophene-2-carboxamide

Systemtic Name: 3-chloranyl-6-methyl-N-pyren-1-yl-1-benzothiophene-2-carboxamide Openeye Name: 3-chloro-6-methyl-N-pyren-1-yl-benzothiophene-2-carboxamide CAS Name: 3-chloro-6-methyl-N-(1-pyrenyl)-1-benzothiophene-2-carboxamide IUPAC Name: 3-chloro-6-methyl-N-pyren-1-yl-1-benzothiophene-2-carboxamide Traditional Name: 3-chloro-6-methyl-N-pyren-1-yl-benzothiophene-2-carboxamide Formula: C26H16ClNOS MolecularWeight: 425.92934

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)C(=C(S2)C(=O)NC3=C4C=CC5=CC=CC6=C5C4=C(C=C6)C=C3)Cl

Isomeric SMILES

CC1=CC2=C(C=C1)C(=C(S2)C(=O)NC3=C4C=CC5=CC=CC6=C5C4=C(C=C6)C=C3)Cl

InChI

InChI=1S/C26H16ClNOS/c1-14-5-10-19-21(13-14)30-25(24(19)27)26(29)28-20-12-9-17-7-6-15-3-2-4-16-8-11-18(20)23(17)22(15)16/h2-13H,1H3,(H,28,29)