1-(2-methyl-3,4-dihydro-2H-1,5-benzothiazepin-5-yl)-2-[(5-propyl-1H-1,2,4-triazol-3-yl)sulfanyl]ethanone

Systemtic Name: 1-(2-methyl-3,4-dihydro-2H-1,5-benzothiazepin-5-yl)-2-[(5-propyl-1H-1,2,4-triazol-3-yl)sulfanyl]ethanone Openeye Name: 1-(2-methyl-3,4-dihydro-2H-1,5-benzothiazepin-5-yl)-2-[(5-propyl-1H-1,2,4-triazol-3-yl)sulfanyl]ethanone CAS Name: 1-(2-methyl-3,4-dihydro-2H-1,5-benzothiazepin-5-yl)-2-[(5-propyl-1H-1,2,4-triazol-3-yl)thio]ethanone IUPAC Name: 1-(2-methyl-3,4-dihydro-2H-1,5-benzothiazepin-5-yl)-2-[(5-propyl-1H-1,2,4-triazol-3-yl)sulfanyl]ethanone Traditional Name: 1-(2-methyl-3,4-dihydro-2H-1,5-benzothiazepin-5-yl)-2-[(5-propyl-1H-1,2,4-triazol-3-yl)thio]ethanone Formula: C17H22N4OS2 MolecularWeight: 362.51278

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=NC(=NN1)SCC(=O)N2CCC(SC3=CC=CC=C32)C

Isomeric SMILES

CCCC1=NC(=NN1)SCC(=O)N2CCC(SC3=CC=CC=C32)C

InChI

InChI=1S/C17H22N4OS2/c1-3-6-15-18-17(20-19-15)23-11-16(22)21-10-9-12(2)24-14-8-5-4-7-13(14)21/h4-5,7-8,12H,3,6,9-11H2,1-2H3,(H,18,19,20)