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

Systemtic Name: N-(3,4-dihydro-2H-chromen-4-yl)-4-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]-3-nitro-benzamide Openeye Name: N-chroman-4-yl-4-(4-methylthiazol-2-yl)sulfanyl-3-nitro-benzamide CAS Name: N-(3,4-dihydro-2H-1-benzopyran-4-yl)-4-[(4-methyl-2-thiazolyl)thio]-3-nitrobenzamide IUPAC Name: N-(3,4-dihydro-2H-chromen-4-yl)-4-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]-3-nitrobenzamide Traditional Name: N-chroman-4-yl-4-[(4-methylthiazol-2-yl)thio]-3-nitro-benzamide Formula: C20H17N3O4S2 MolecularWeight: 427.49668

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CSC(=N1)SC2=C(C=C(C=C2)C(=O)NC3CCOC4=CC=CC=C34)[N+](=O)[O-]

Isomeric SMILES

CC1=CSC(=N1)SC2=C(C=C(C=C2)C(=O)NC3CCOC4=CC=CC=C34)[N+](=O)[O-]

InChI

InChI=1S/C20H17N3O4S2/c1-12-11-28-20(21-12)29-18-7-6-13(10-16(18)23(25)26)19(24)22-15-8-9-27-17-5-3-2-4-14(15)17/h2-7,10-11,15H,8-9H2,1H3,(H,22,24)