4-[4-[(4-cyclopropyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)sulfanyl]-3-nitro-phenyl]sulfonylmorpholine

Systemtic Name: 4-[4-[(4-cyclopropyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)sulfanyl]-3-nitro-phenyl]sulfonylmorpholine Openeye Name: 4-[4-[[4-cyclopropyl-5-(2-thienyl)-1,2,4-triazol-3-yl]sulfanyl]-3-nitro-phenyl]sulfonylmorpholine CAS Name: 4-[4-[(4-cyclopropyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)thio]-3-nitrophenyl]sulfonylmorpholine IUPAC Name: 4-[4-[(4-cyclopropyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)sulfanyl]-3-nitrophenyl]sulfonylmorpholine Traditional Name: 4-[4-[[4-cyclopropyl-5-(2-thienyl)-1,2,4-triazol-3-yl]thio]-3-nitro-phenyl]sulfonylmorpholine Formula: C19H19N5O5S3 MolecularWeight: 493.57966

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Descriptors Computed from Structure

Canonical SMILES:

C1CC1N2C(=NN=C2SC3=C(C=C(C=C3)S(=O)(=O)N4CCOCC4)[N+](=O)[O-])C5=CC=CS5

Isomeric SMILES

C1CC1N2C(=NN=C2SC3=C(C=C(C=C3)S(=O)(=O)N4CCOCC4)[N+](=O)[O-])C5=CC=CS5

InChI

InChI=1S/C19H19N5O5S3/c25-24(26)15-12-14(32(27,28)22-7-9-29-10-8-22)5-6-16(15)31-19-21-20-18(17-2-1-11-30-17)23(19)13-3-4-13/h1-2,5-6,11-13H,3-4,7-10H2