N-[5-[(E)-(5-nitrothiophen-2-yl)methylideneamino]-1,3,4-thiadiazol-2-yl]-4-pentan-3-ylsulfonyl-benzamide

Systemtic Name: N-[5-[(E)-(5-nitrothiophen-2-yl)methylideneamino]-1,3,4-thiadiazol-2-yl]-4-pentan-3-ylsulfonyl-benzamide Openeye Name: 4-(1-ethylpropylsulfonyl)-N-[5-[(E)-(5-nitro-2-thienyl)methyleneamino]-1,3,4-thiadiazol-2-yl]benzamide CAS Name: N-[5-[(E)-(5-nitro-2-thiophenyl)methylideneamino]-1,3,4-thiadiazol-2-yl]-4-pentan-3-ylsulfonylbenzamide IUPAC Name: N-[5-[(E)-(5-nitrothiophen-2-yl)methylideneamino]-1,3,4-thiadiazol-2-yl]-4-pentan-3-ylsulfonylbenzamide Traditional Name: 4-(1-ethylpropylsulfonyl)-N-[5-[(E)-(5-nitro-2-thienyl)methyleneamino]-1,3,4-thiadiazol-2-yl]benzamide Formula: C19H19N5O5S3 MolecularWeight: 493.57966

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Descriptors Computed from Structure

Canonical SMILES:

CCC(CC)S(=O)(=O)C1=CC=C(C=C1)C(=O)NC2=NN=C(S2)N=CC3=CC=C(S3)[N+](=O)[O-]

Isomeric SMILES

CCC(CC)S(=O)(=O)C1=CC=C(C=C1)C(=O)NC2=NN=C(S2)/N=C/C3=CC=C(S3)[N+](=O)[O-]

InChI

InChI=1S/C19H19N5O5S3/c1-3-14(4-2)32(28,29)15-8-5-12(6-9-15)17(25)21-19-23-22-18(31-19)20-11-13-7-10-16(30-13)24(26)27/h5-11,14H,3-4H2,1-2H3,(H,21,23,25)/b20-11+