4-(benzotriazol-1-ylmethyl)-N-[(4S)-3,4-dihydro-2H-thiochromen-4-yl]benzamide

Systemtic Name: 4-(benzotriazol-1-ylmethyl)-N-[(4S)-3,4-dihydro-2H-thiochromen-4-yl]benzamide Openeye Name: 4-(benzotriazol-1-ylmethyl)-N-[(4S)-thiochroman-4-yl]benzamide CAS Name: 4-(1-benzotriazolylmethyl)-N-[(4S)-3,4-dihydro-2H-1-benzothiopyran-4-yl]benzamide IUPAC Name: 4-(benzotriazol-1-ylmethyl)-N-[(4S)-3,4-dihydro-2H-thiochromen-4-yl]benzamide Traditional Name: 4-(benzotriazol-1-ylmethyl)-N-[(4S)-thiochroman-4-yl]benzamide Formula: C23H20N4OS MolecularWeight: 400.4961

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Descriptors Computed from Structure

Canonical SMILES:

C1CSC2=CC=CC=C2C1NC(=O)C3=CC=C(C=C3)CN4C5=CC=CC=C5N=N4

Isomeric SMILES

C1CSC2=CC=CC=C2[C@H]1NC(=O)C3=CC=C(C=C3)CN4C5=CC=CC=C5N=N4

InChI

InChI=1S/C23H20N4OS/c28-23(24-19-13-14-29-22-8-4-1-5-18(19)22)17-11-9-16(10-12-17)15-27-21-7-3-2-6-20(21)25-26-27/h1-12,19H,13-15H2,(H,24,28)/t19-/m0/s1