4-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]-N-(1-naphthalen-1-ylethyl)-3-nitro-benzamide

Systemtic Name: 4-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]-N-(1-naphthalen-1-ylethyl)-3-nitro-benzamide Openeye Name: 4-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]-N-[1-(1-naphthyl)ethyl]-3-nitro-benzamide CAS Name: 4-[(4-methyl-1,2,4-triazol-3-yl)thio]-N-[1-(1-naphthalenyl)ethyl]-3-nitrobenzamide IUPAC Name: 4-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]-N-(1-naphthalen-1-ylethyl)-3-nitrobenzamide Traditional Name: 4-[(4-methyl-1,2,4-triazol-3-yl)thio]-N-[1-(1-naphthyl)ethyl]-3-nitro-benzamide Formula: C22H19N5O3S MolecularWeight: 433.48296

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC=CC2=CC=CC=C21)NC(=O)C3=CC(=C(C=C3)SC4=NN=CN4C)[N+](=O)[O-]

Isomeric SMILES

CC(C1=CC=CC2=CC=CC=C21)NC(=O)C3=CC(=C(C=C3)SC4=NN=CN4C)[N+](=O)[O-]

InChI

InChI=1S/C22H19N5O3S/c1-14(17-9-5-7-15-6-3-4-8-18(15)17)24-21(28)16-10-11-20(19(12-16)27(29)30)31-22-25-23-13-26(22)2/h3-14H,1-2H3,(H,24,28)