N-(6-chloranyl-3,4-dihydro-2H-thiochromen-4-yl)-1-(4-nitrophenyl)pyrazole-4-carboxamide

Systemtic Name: N-(6-chloranyl-3,4-dihydro-2H-thiochromen-4-yl)-1-(4-nitrophenyl)pyrazole-4-carboxamide Openeye Name: N-(6-chlorothiochroman-4-yl)-1-(4-nitrophenyl)pyrazole-4-carboxamide CAS Name: N-(6-chloro-3,4-dihydro-2H-1-benzothiopyran-4-yl)-1-(4-nitrophenyl)-4-pyrazolecarboxamide IUPAC Name: N-(6-chloro-3,4-dihydro-2H-thiochromen-4-yl)-1-(4-nitrophenyl)pyrazole-4-carboxamide Traditional Name: N-(6-chlorothiochroman-4-yl)-1-(4-nitrophenyl)pyrazole-4-carboxamide Formula: C19H15ClN4O3S MolecularWeight: 414.8654

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Descriptors Computed from Structure

Canonical SMILES:

C1CSC2=C(C1NC(=O)C3=CN(N=C3)C4=CC=C(C=C4)[N+](=O)[O-])C=C(C=C2)Cl

Isomeric SMILES

C1CSC2=C(C1NC(=O)C3=CN(N=C3)C4=CC=C(C=C4)[N+](=O)[O-])C=C(C=C2)Cl

InChI

InChI=1S/C19H15ClN4O3S/c20-13-1-6-18-16(9-13)17(7-8-28-18)22-19(25)12-10-21-23(11-12)14-2-4-15(5-3-14)24(26)27/h1-6,9-11,17H,7-8H2,(H,22,25)