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

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

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C(CCNC2=NN=C(S2)NC(=O)C3=CC=C(O3)[N+](=O)[O-])C4=CC=CC=C4

Isomeric SMILES

C1=CC=C(C=C1)C(CCNC2=NN=C(S2)NC(=O)C3=CC=C(O3)[N+](=O)[O-])C4=CC=CC=C4

InChI

InChI=1S/C22H19N5O4S/c28-20(18-11-12-19(31-18)27(29)30)24-22-26-25-21(32-22)23-14-13-17(15-7-3-1-4-8-15)16-9-5-2-6-10-16/h1-12,17H,13-14H2,(H,23,25)(H,24,26,28)