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

Systemtic Name: N-[3-(cyclopropylmethoxy)propyl]-4-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]-3-nitro-benzamide Openeye Name: N-[3-(cyclopropylmethoxy)propyl]-4-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]-3-nitro-benzamide CAS Name: N-[3-(cyclopropylmethoxy)propyl]-4-[(4-methyl-1,2,4-triazol-3-yl)thio]-3-nitrobenzamide IUPAC Name: N-[3-(cyclopropylmethoxy)propyl]-4-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]-3-nitrobenzamide Traditional Name: N-[3-(cyclopropylmethoxy)propyl]-4-[(4-methyl-1,2,4-triazol-3-yl)thio]-3-nitro-benzamide Formula: C17H21N5O4S MolecularWeight: 391.44474

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=NN=C1SC2=C(C=C(C=C2)C(=O)NCCCOCC3CC3)[N+](=O)[O-]

Isomeric SMILES

CN1C=NN=C1SC2=C(C=C(C=C2)C(=O)NCCCOCC3CC3)[N+](=O)[O-]

InChI

InChI=1S/C17H21N5O4S/c1-21-11-19-20-17(21)27-15-6-5-13(9-14(15)22(24)25)16(23)18-7-2-8-26-10-12-3-4-12/h5-6,9,11-12H,2-4,7-8,10H2,1H3,(H,18,23)