N-(2-chloranyl-4-nitro-phenyl)-2-[[5-[(4-methylphenyl)amino]-1,3,4-thiadiazol-2-yl]sulfanyl]propanamide

Systemtic Name: N-(2-chloranyl-4-nitro-phenyl)-2-[[5-[(4-methylphenyl)amino]-1,3,4-thiadiazol-2-yl]sulfanyl]propanamide Openeye Name: N-(2-chloro-4-nitro-phenyl)-2-[[5-(4-methylanilino)-1,3,4-thiadiazol-2-yl]sulfanyl]propanamide CAS Name: N-(2-chloro-4-nitrophenyl)-2-[[5-(4-methylanilino)-1,3,4-thiadiazol-2-yl]thio]propanamide IUPAC Name: N-(2-chloro-4-nitrophenyl)-2-[[5-(4-methylanilino)-1,3,4-thiadiazol-2-yl]sulfanyl]propanamide Traditional Name: N-(2-chloro-4-nitro-phenyl)-2-[[5-(p-toluidino)-1,3,4-thiadiazol-2-yl]thio]propionamide Formula: C18H16ClN5O3S2 MolecularWeight: 449.93434

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)NC2=NN=C(S2)SC(C)C(=O)NC3=C(C=C(C=C3)[N+](=O)[O-])Cl

Isomeric SMILES

CC1=CC=C(C=C1)NC2=NN=C(S2)SC(C)C(=O)NC3=C(C=C(C=C3)[N+](=O)[O-])Cl

InChI

InChI=1S/C18H16ClN5O3S2/c1-10-3-5-12(6-4-10)20-17-22-23-18(29-17)28-11(2)16(25)21-15-8-7-13(24(26)27)9-14(15)19/h3-9,11H,1-2H3,(H,20,22)(H,21,25)