N-[(4S)-3,4-dihydro-2H-thiochromen-4-yl]-1-ethyl-benzotriazole-5-carboxamide

Systemtic Name: N-[(4S)-3,4-dihydro-2H-thiochromen-4-yl]-1-ethyl-benzotriazole-5-carboxamide Openeye Name: 1-ethyl-N-[(4S)-thiochroman-4-yl]benzotriazole-5-carboxamide CAS Name: N-[(4S)-3,4-dihydro-2H-1-benzothiopyran-4-yl]-1-ethyl-5-benzotriazolecarboxamide IUPAC Name: N-[(4S)-3,4-dihydro-2H-thiochromen-4-yl]-1-ethylbenzotriazole-5-carboxamide Traditional Name: 1-ethyl-N-[(4S)-thiochroman-4-yl]benzotriazole-5-carboxamide Formula: C18H18N4OS MolecularWeight: 338.42672

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C2=C(C=C(C=C2)C(=O)NC3CCSC4=CC=CC=C34)N=N1

Isomeric SMILES

CCN1C2=C(C=C(C=C2)C(=O)N[C@H]3CCSC4=CC=CC=C34)N=N1

InChI

InChI=1S/C18H18N4OS/c1-2-22-16-8-7-12(11-15(16)20-21-22)18(23)19-14-9-10-24-17-6-4-3-5-13(14)17/h3-8,11,14H,2,9-10H2,1H3,(H,19,23)/t14-/m0/s1