N-[(4-hydroxyphenyl)methyl]-4-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]-3-nitro-benzamide

Systemtic Name: N-[(4-hydroxyphenyl)methyl]-4-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]-3-nitro-benzamide Openeye Name: N-[(4-hydroxyphenyl)methyl]-4-(4-methylthiazol-2-yl)sulfanyl-3-nitro-benzamide CAS Name: N-[(4-hydroxyphenyl)methyl]-4-[(4-methyl-2-thiazolyl)thio]-3-nitrobenzamide IUPAC Name: N-[(4-hydroxyphenyl)methyl]-4-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]-3-nitrobenzamide Traditional Name: N-(4-hydroxybenzyl)-4-[(4-methylthiazol-2-yl)thio]-3-nitro-benzamide Formula: C18H15N3O4S2 MolecularWeight: 401.4594

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CSC(=N1)SC2=C(C=C(C=C2)C(=O)NCC3=CC=C(C=C3)O)[N+](=O)[O-]

Isomeric SMILES

CC1=CSC(=N1)SC2=C(C=C(C=C2)C(=O)NCC3=CC=C(C=C3)O)[N+](=O)[O-]

InChI

InChI=1S/C18H15N3O4S2/c1-11-10-26-18(20-11)27-16-7-4-13(8-15(16)21(24)25)17(23)19-9-12-2-5-14(22)6-3-12/h2-8,10,22H,9H2,1H3,(H,19,23)