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

Systemtic Name: N-(2-methoxy-4-nitro-phenyl)-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-(2-methoxy-4-nitro-phenyl)acetamide CAS Name: N-(2-methoxy-4-nitrophenyl)-2-[[5-(prop-2-enylamino)-1,3,4-thiadiazol-2-yl]thio]acetamide IUPAC Name: N-(2-methoxy-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-(2-methoxy-4-nitro-phenyl)acetamide Formula: C14H15N5O4S2 MolecularWeight: 381.43

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1)[N+](=O)[O-])NC(=O)CSC2=NN=C(S2)NCC=C

Isomeric SMILES

COC1=C(C=CC(=C1)[N+](=O)[O-])NC(=O)CSC2=NN=C(S2)NCC=C

InChI

InChI=1S/C14H15N5O4S2/c1-3-6-15-13-17-18-14(25-13)24-8-12(20)16-10-5-4-9(19(21)22)7-11(10)23-2/h3-5,7H,1,6,8H2,2H3,(H,15,17)(H,16,20)