5-[4-[(4-methylphenyl)amino]-3-nitro-phenyl]-3-(phenylazanylmethyl)-1,3,4-oxadiazole-2-thione

Systemtic Name: 5-[4-[(4-methylphenyl)amino]-3-nitro-phenyl]-3-(phenylazanylmethyl)-1,3,4-oxadiazole-2-thione Openeye Name: 3-(anilinomethyl)-5-[4-(4-methylanilino)-3-nitro-phenyl]-1,3,4-oxadiazole-2-thione CAS Name: 3-(anilinomethyl)-5-[4-(4-methylanilino)-3-nitrophenyl]-1,3,4-oxadiazole-2-thione IUPAC Name: 3-(anilinomethyl)-5-[4-(4-methylanilino)-3-nitrophenyl]-1,3,4-oxadiazole-2-thione Traditional Name: 3-(anilinomethyl)-5-[3-nitro-4-(p-toluidino)phenyl]-1,3,4-oxadiazole-2-thione Formula: C22H19N5O3S MolecularWeight: 433.48296

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)NC2=C(C=C(C=C2)C3=NN(C(=S)O3)CNC4=CC=CC=C4)[N+](=O)[O-]

Isomeric SMILES

CC1=CC=C(C=C1)NC2=C(C=C(C=C2)C3=NN(C(=S)O3)CNC4=CC=CC=C4)[N+](=O)[O-]

InChI

InChI=1S/C22H19N5O3S/c1-15-7-10-18(11-8-15)24-19-12-9-16(13-20(19)27(28)29)21-25-26(22(31)30-21)14-23-17-5-3-2-4-6-17/h2-13,23-24H,14H2,1H3