6-chloranyl-3-[3-(4-nitrophenoxy)prop-1-ynyl]-2-phenyl-thiochromen-4-one

Systemtic Name: 6-chloranyl-3-[3-(4-nitrophenoxy)prop-1-ynyl]-2-phenyl-thiochromen-4-one Openeye Name: 6-chloro-3-[3-(4-nitrophenoxy)prop-1-ynyl]-2-phenyl-thiochromen-4-one CAS Name: 6-chloro-3-[3-(4-nitrophenoxy)prop-1-ynyl]-2-phenyl-1-benzothiopyran-4-one IUPAC Name: 6-chloro-3-[3-(4-nitrophenoxy)prop-1-ynyl]-2-phenylthiochromen-4-one Traditional Name: 6-chloro-3-[3-(4-nitrophenoxy)prop-1-ynyl]-2-phenyl-thiochromen-4-one Formula: C24H14ClNO4S MolecularWeight: 447.89026

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=C(C(=O)C3=C(S2)C=CC(=C3)Cl)C#CCOC4=CC=C(C=C4)[N+](=O)[O-]

Isomeric SMILES

C1=CC=C(C=C1)C2=C(C(=O)C3=C(S2)C=CC(=C3)Cl)C#CCOC4=CC=C(C=C4)[N+](=O)[O-]

InChI

InChI=1S/C24H14ClNO4S/c25-17-8-13-22-21(15-17)23(27)20(24(31-22)16-5-2-1-3-6-16)7-4-14-30-19-11-9-18(10-12-19)26(28)29/h1-3,5-6,8-13,15H,14H2