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

Systemtic Name: N-[(4S)-3,4-dihydro-2H-chromen-4-yl]-4-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]-3-nitro-benzamide Openeye Name: N-[(4S)-chroman-4-yl]-4-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]-3-nitro-benzamide CAS Name: N-[(4S)-3,4-dihydro-2H-1-benzopyran-4-yl]-4-[(4-methyl-1,2,4-triazol-3-yl)thio]-3-nitrobenzamide IUPAC Name: N-[(4S)-3,4-dihydro-2H-chromen-4-yl]-4-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]-3-nitrobenzamide Traditional Name: N-[(4S)-chroman-4-yl]-4-[(4-methyl-1,2,4-triazol-3-yl)thio]-3-nitro-benzamide Formula: C19H17N5O4S MolecularWeight: 411.43438

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=NN=C1SC2=C(C=C(C=C2)C(=O)NC3CCOC4=CC=CC=C34)[N+](=O)[O-]

Isomeric SMILES

CN1C=NN=C1SC2=C(C=C(C=C2)C(=O)N[C@H]3CCOC4=CC=CC=C34)[N+](=O)[O-]

InChI

InChI=1S/C19H17N5O4S/c1-23-11-20-22-19(23)29-17-7-6-12(10-15(17)24(26)27)18(25)21-14-8-9-28-16-5-3-2-4-13(14)16/h2-7,10-11,14H,8-9H2,1H3,(H,21,25)/t14-/m0/s1