4-(3,3-diphenylpropylamino)-5-nitro-3-(1,3,4-thiadiazol-2-yl)furan-2-carboxamide

Systemtic Name: 4-(3,3-diphenylpropylamino)-5-nitro-3-(1,3,4-thiadiazol-2-yl)furan-2-carboxamide Openeye Name: 4-(3,3-diphenylpropylamino)-5-nitro-3-(1,3,4-thiadiazol-2-yl)furan-2-carboxamide CAS Name: 4-(3,3-diphenylpropylamino)-5-nitro-3-(1,3,4-thiadiazol-2-yl)-2-furancarboxamide IUPAC Name: 4-(3,3-diphenylpropylamino)-5-nitro-3-(1,3,4-thiadiazol-2-yl)furan-2-carboxamide Traditional Name: 4-(3,3-diphenylpropylamino)-5-nitro-3-(1,3,4-thiadiazol-2-yl)-2-furamide Formula: C22H19N5O4S MolecularWeight: 449.48236

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C(CCNC2=C(OC(=C2C3=NN=CS3)C(=O)N)[N+](=O)[O-])C4=CC=CC=C4

Isomeric SMILES

C1=CC=C(C=C1)C(CCNC2=C(OC(=C2C3=NN=CS3)C(=O)N)[N+](=O)[O-])C4=CC=CC=C4

InChI

InChI=1S/C22H19N5O4S/c23-20(28)19-17(21-26-25-13-32-21)18(22(31-19)27(29)30)24-12-11-16(14-7-3-1-4-8-14)15-9-5-2-6-10-15/h1-10,13,16,24H,11-12H2,(H2,23,28)