N-[(4S)-3,4-dihydro-2H-chromen-4-yl]-5-nitro-2-(1H-1,2,4-triazol-5-ylsulfanyl)benzamide

Systemtic Name: N-[(4S)-3,4-dihydro-2H-chromen-4-yl]-5-nitro-2-(1H-1,2,4-triazol-5-ylsulfanyl)benzamide Openeye Name: N-[(4S)-chroman-4-yl]-5-nitro-2-(1H-1,2,4-triazol-5-ylsulfanyl)benzamide CAS Name: N-[(4S)-3,4-dihydro-2H-1-benzopyran-4-yl]-5-nitro-2-(1H-1,2,4-triazol-5-ylthio)benzamide IUPAC Name: N-[(4S)-3,4-dihydro-2H-chromen-4-yl]-5-nitro-2-(1H-1,2,4-triazol-5-ylsulfanyl)benzamide Traditional Name: N-[(4S)-chroman-4-yl]-5-nitro-2-(1H-1,2,4-triazol-5-ylthio)benzamide Formula: C18H15N5O4S MolecularWeight: 397.4078

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Descriptors Computed from Structure

Canonical SMILES:

C1COC2=CC=CC=C2C1NC(=O)C3=C(C=CC(=C3)[N+](=O)[O-])SC4=NC=NN4

Isomeric SMILES

C1COC2=CC=CC=C2[C@H]1NC(=O)C3=C(C=CC(=C3)[N+](=O)[O-])SC4=NC=NN4

InChI

InChI=1S/C18H15N5O4S/c24-17(21-14-7-8-27-15-4-2-1-3-12(14)15)13-9-11(23(25)26)5-6-16(13)28-18-19-10-20-22-18/h1-6,9-10,14H,7-8H2,(H,21,24)(H,19,20,22)/t14-/m0/s1