2-[(5-azanyl-1H-1,2,4-triazol-3-yl)sulfanyl]-1-[1-(3-methoxypropyl)-2,5-dimethyl-pyrrol-3-yl]ethanone

Systemtic Name: 2-[(5-azanyl-1H-1,2,4-triazol-3-yl)sulfanyl]-1-[1-(3-methoxypropyl)-2,5-dimethyl-pyrrol-3-yl]ethanone Openeye Name: 2-[(5-amino-1H-1,2,4-triazol-3-yl)sulfanyl]-1-[1-(3-methoxypropyl)-2,5-dimethyl-pyrrol-3-yl]ethanone CAS Name: 2-[(5-amino-1H-1,2,4-triazol-3-yl)thio]-1-[1-(3-methoxypropyl)-2,5-dimethyl-3-pyrrolyl]ethanone IUPAC Name: 2-[(5-amino-1H-1,2,4-triazol-3-yl)sulfanyl]-1-[1-(3-methoxypropyl)-2,5-dimethylpyrrol-3-yl]ethanone Traditional Name: 2-[(5-amino-1H-1,2,4-triazol-3-yl)thio]-1-[1-(3-methoxypropyl)-2,5-dimethyl-pyrrol-3-yl]ethanone Formula: C14H21N5O2S MolecularWeight: 323.41384

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(N1CCCOC)C)C(=O)CSC2=NNC(=N2)N

Isomeric SMILES

CC1=CC(=C(N1CCCOC)C)C(=O)CSC2=NNC(=N2)N

InChI

InChI=1S/C14H21N5O2S/c1-9-7-11(10(2)19(9)5-4-6-21-3)12(20)8-22-14-16-13(15)17-18-14/h7H,4-6,8H2,1-3H3,(H3,15,16,17,18)