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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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