N-[(E)-[(3,5-dimethyl-1,2-thiazol-4-yl)-phenyl-methylidene]amino]-2,4-dinitro-aniline

Systemtic Name: N-[(E)-[(3,5-dimethyl-1,2-thiazol-4-yl)-phenyl-methylidene]amino]-2,4-dinitro-aniline Openeye Name: N-[(E)-[(3,5-dimethylisothiazol-4-yl)-phenyl-methylene]amino]-2,4-dinitro-aniline CAS Name: N-[(E)-[(3,5-dimethyl-4-isothiazolyl)-phenylmethylidene]amino]-2,4-dinitroaniline IUPAC Name: N-[(E)-[(3,5-dimethyl-1,2-thiazol-4-yl)-phenylmethylidene]amino]-2,4-dinitroaniline Traditional Name: [(E)-[(3,5-dimethylisothiazol-4-yl)-phenyl-methylene]amino]-(2,4-dinitrophenyl)amine Formula: C18H15N5O4S MolecularWeight: 397.4078

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NS1)C)C(=NNC2=C(C=C(C=C2)[N+](=O)[O-])[N+](=O)[O-])C3=CC=CC=C3

Isomeric SMILES

CC1=C(C(=NS1)C)/C(=N/NC2=C(C=C(C=C2)[N+](=O)[O-])[N+](=O)[O-])/C3=CC=CC=C3

InChI

InChI=1S/C18H15N5O4S/c1-11-17(12(2)28-21-11)18(13-6-4-3-5-7-13)20-19-15-9-8-14(22(24)25)10-16(15)23(26)27/h3-10,19H,1-2H3/b20-18+