N-[5-[2-[(2-methylphenyl)amino]-2-oxidanylidene-ethyl]-1,3,4-thiadiazol-2-yl]-3-nitro-benzamide

Systemtic Name: N-[5-[2-[(2-methylphenyl)amino]-2-oxidanylidene-ethyl]-1,3,4-thiadiazol-2-yl]-3-nitro-benzamide Openeye Name: N-[5-[2-(2-methylanilino)-2-oxo-ethyl]-1,3,4-thiadiazol-2-yl]-3-nitro-benzamide CAS Name: N-[5-[2-(2-methylanilino)-2-oxoethyl]-1,3,4-thiadiazol-2-yl]-3-nitrobenzamide IUPAC Name: N-[5-[2-(2-methylanilino)-2-oxoethyl]-1,3,4-thiadiazol-2-yl]-3-nitrobenzamide Traditional Name: N-[5-[2-keto-2-(o-toluidino)ethyl]-1,3,4-thiadiazol-2-yl]-3-nitro-benzamide Formula: C18H15N5O4S MolecularWeight: 397.4078

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1NC(=O)CC2=NN=C(S2)NC(=O)C3=CC(=CC=C3)[N+](=O)[O-]

Isomeric SMILES

CC1=CC=CC=C1NC(=O)CC2=NN=C(S2)NC(=O)C3=CC(=CC=C3)[N+](=O)[O-]

InChI

InChI=1S/C18H15N5O4S/c1-11-5-2-3-8-14(11)19-15(24)10-16-21-22-18(28-16)20-17(25)12-6-4-7-13(9-12)23(26)27/h2-9H,10H2,1H3,(H,19,24)(H,20,22,25)