[3-chloranyl-5-methoxy-4-[(4-nitrophenyl)methoxy]phenyl]-pyrrolidin-1-yl-methanethione

Systemtic Name: [3-chloranyl-5-methoxy-4-[(4-nitrophenyl)methoxy]phenyl]-pyrrolidin-1-yl-methanethione Openeye Name: [3-chloro-5-methoxy-4-[(4-nitrophenyl)methoxy]phenyl]-pyrrolidin-1-yl-methanethione CAS Name: [3-chloro-5-methoxy-4-[(4-nitrophenyl)methoxy]phenyl]-(1-pyrrolidinyl)methanethione IUPAC Name: [3-chloro-5-methoxy-4-[(4-nitrophenyl)methoxy]phenyl]-pyrrolidin-1-ylmethanethione Traditional Name: [3-chloro-5-methoxy-4-(4-nitrobenzyl)oxy-phenyl]-pyrrolidino-methanethione Formula: C19H19ClN2O4S MolecularWeight: 406.88316

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C(=CC(=C1)C(=S)N2CCCC2)Cl)OCC3=CC=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

COC1=C(C(=CC(=C1)C(=S)N2CCCC2)Cl)OCC3=CC=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C19H19ClN2O4S/c1-25-17-11-14(19(27)21-8-2-3-9-21)10-16(20)18(17)26-12-13-4-6-15(7-5-13)22(23)24/h4-7,10-11H,2-3,8-9,12H2,1H3