N-(4-nitrophenyl)-2-[[5-(prop-2-enylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]ethanamide

Systemtic Name: N-(4-nitrophenyl)-2-[[5-(prop-2-enylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]ethanamide Openeye Name: 2-[[5-(allylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]-N-(4-nitrophenyl)acetamide CAS Name: N-(4-nitrophenyl)-2-[[5-(prop-2-enylamino)-1,3,4-thiadiazol-2-yl]thio]acetamide IUPAC Name: N-(4-nitrophenyl)-2-[[5-(prop-2-enylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]acetamide Traditional Name: 2-[[5-(allylamino)-1,3,4-thiadiazol-2-yl]thio]-N-(4-nitrophenyl)acetamide Formula: C13H13N5O3S2 MolecularWeight: 351.40402

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Descriptors Computed from Structure

Canonical SMILES:

C=CCNC1=NN=C(S1)SCC(=O)NC2=CC=C(C=C2)[N+](=O)[O-]

Isomeric SMILES

C=CCNC1=NN=C(S1)SCC(=O)NC2=CC=C(C=C2)[N+](=O)[O-]

InChI

InChI=1S/C13H13N5O3S2/c1-2-7-14-12-16-17-13(23-12)22-8-11(19)15-9-3-5-10(6-4-9)18(20)21/h2-6H,1,7-8H2,(H,14,16)(H,15,19)