4-[[4-(3-nitrophenyl)-1,3-thiazol-2-yl]methyl]aniline

Systemtic Name: 4-[[4-(3-nitrophenyl)-1,3-thiazol-2-yl]methyl]aniline Openeye Name: 4-[[4-(3-nitrophenyl)thiazol-2-yl]methyl]aniline CAS Name: 4-[[4-(3-nitrophenyl)-2-thiazolyl]methyl]aniline IUPAC Name: 4-[[4-(3-nitrophenyl)-1,3-thiazol-2-yl]methyl]aniline Traditional Name: [4-[[4-(3-nitrophenyl)thiazol-2-yl]methyl]phenyl]amine Formula: C16H13N3O2S MolecularWeight: 311.35832

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)[N+](=O)[O-])C2=CSC(=N2)CC3=CC=C(C=C3)N

Isomeric SMILES

C1=CC(=CC(=C1)[N+](=O)[O-])C2=CSC(=N2)CC3=CC=C(C=C3)N

InChI

InChI=1S/C16H13N3O2S/c17-13-6-4-11(5-7-13)8-16-18-15(10-22-16)12-2-1-3-14(9-12)19(20)21/h1-7,9-10H,8,17H2