4-[[5-(cyclopropylamino)-1,3,4-thiadiazol-2-yl]sulfanylmethyl]-3-nitro-benzamide

Systemtic Name: 4-[[5-(cyclopropylamino)-1,3,4-thiadiazol-2-yl]sulfanylmethyl]-3-nitro-benzamide Openeye Name: 4-[[5-(cyclopropylamino)-1,3,4-thiadiazol-2-yl]sulfanylmethyl]-3-nitro-benzamide CAS Name: 4-[[[5-(cyclopropylamino)-1,3,4-thiadiazol-2-yl]thio]methyl]-3-nitrobenzamide IUPAC Name: 4-[[5-(cyclopropylamino)-1,3,4-thiadiazol-2-yl]sulfanylmethyl]-3-nitrobenzamide Traditional Name: 4-[[[5-(cyclopropylamino)-1,3,4-thiadiazol-2-yl]thio]methyl]-3-nitro-benzamide Formula: C13H13N5O3S2 MolecularWeight: 351.40402

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Descriptors Computed from Structure

Canonical SMILES:

C1CC1NC2=NN=C(S2)SCC3=C(C=C(C=C3)C(=O)N)[N+](=O)[O-]

Isomeric SMILES

C1CC1NC2=NN=C(S2)SCC3=C(C=C(C=C3)C(=O)N)[N+](=O)[O-]

InChI

InChI=1S/C13H13N5O3S2/c14-11(19)7-1-2-8(10(5-7)18(20)21)6-22-13-17-16-12(23-13)15-9-3-4-9/h1-2,5,9H,3-4,6H2,(H2,14,19)(H,15,16)