(4S)-5-[2-[(4-ethyl-5-phenyl-1,2,4-triazol-3-yl)sulfanyl]ethanoyl]-4-methyl-3,4-dihydro-1H-1,5-benzodiazepin-2-one

Systemtic Name: (4S)-5-[2-[(4-ethyl-5-phenyl-1,2,4-triazol-3-yl)sulfanyl]ethanoyl]-4-methyl-3,4-dihydro-1H-1,5-benzodiazepin-2-one Openeye Name: (4S)-5-[2-[(4-ethyl-5-phenyl-1,2,4-triazol-3-yl)sulfanyl]acetyl]-4-methyl-3,4-dihydro-1H-1,5-benzodiazepin-2-one CAS Name: (4S)-5-[2-[(4-ethyl-5-phenyl-1,2,4-triazol-3-yl)thio]-1-oxoethyl]-4-methyl-3,4-dihydro-1H-1,5-benzodiazepin-2-one IUPAC Name: (4S)-5-[2-[(4-ethyl-5-phenyl-1,2,4-triazol-3-yl)sulfanyl]acetyl]-4-methyl-3,4-dihydro-1H-1,5-benzodiazepin-2-one Traditional Name: (4S)-5-[2-[(4-ethyl-5-phenyl-1,2,4-triazol-3-yl)thio]acetyl]-4-methyl-3,4-dihydro-1H-1,5-benzodiazepin-2-one Formula: C22H23N5O2S MolecularWeight: 421.51532

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=NN=C1SCC(=O)N2C(CC(=O)NC3=CC=CC=C32)C)C4=CC=CC=C4

Isomeric SMILES

CCN1C(=NN=C1SCC(=O)N2[C@H](CC(=O)NC3=CC=CC=C32)C)C4=CC=CC=C4

InChI

InChI=1S/C22H23N5O2S/c1-3-26-21(16-9-5-4-6-10-16)24-25-22(26)30-14-20(29)27-15(2)13-19(28)23-17-11-7-8-12-18(17)27/h4-12,15H,3,13-14H2,1-2H3,(H,23,28)/t15-/m0/s1