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

Systemtic Name: N-(4-methyl-3-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-(4-methyl-3-nitro-phenyl)acetamide CAS Name: N-(4-methyl-3-nitrophenyl)-2-[[5-(prop-2-enylamino)-1,3,4-thiadiazol-2-yl]thio]acetamide IUPAC Name: N-(4-methyl-3-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-methyl-3-nitro-phenyl)acetamide Formula: C14H15N5O3S2 MolecularWeight: 365.4306

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)NC(=O)CSC2=NN=C(S2)NCC=C)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C=C(C=C1)NC(=O)CSC2=NN=C(S2)NCC=C)[N+](=O)[O-]

InChI

InChI=1S/C14H15N5O3S2/c1-3-6-15-13-17-18-14(24-13)23-8-12(20)16-10-5-4-9(2)11(7-10)19(21)22/h3-5,7H,1,6,8H2,2H3,(H,15,17)(H,16,20)