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

Systemtic Name: 4-methyl-5-[2-[(4-methyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanyl]ethanoyl]-3,4-dihydro-1H-1,5-benzodiazepin-2-one Openeye Name: 4-methyl-5-[2-[[4-methyl-5-(4-pyridyl)-1,2,4-triazol-3-yl]sulfanyl]acetyl]-3,4-dihydro-1H-1,5-benzodiazepin-2-one CAS Name: 4-methyl-5-[2-[(4-methyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)thio]-1-oxoethyl]-3,4-dihydro-1H-1,5-benzodiazepin-2-one IUPAC Name: 4-methyl-5-[2-[(4-methyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanyl]acetyl]-3,4-dihydro-1H-1,5-benzodiazepin-2-one Traditional Name: 4-methyl-5-[2-[[4-methyl-5-(4-pyridyl)-1,2,4-triazol-3-yl]thio]acetyl]-3,4-dihydro-1H-1,5-benzodiazepin-2-one Formula: C20H20N6O2S MolecularWeight: 408.4768

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Descriptors Computed from Structure

Canonical SMILES:

CC1CC(=O)NC2=CC=CC=C2N1C(=O)CSC3=NN=C(N3C)C4=CC=NC=C4

Isomeric SMILES

CC1CC(=O)NC2=CC=CC=C2N1C(=O)CSC3=NN=C(N3C)C4=CC=NC=C4

InChI

InChI=1S/C20H20N6O2S/c1-13-11-17(27)22-15-5-3-4-6-16(15)26(13)18(28)12-29-20-24-23-19(25(20)2)14-7-9-21-10-8-14/h3-10,13H,11-12H2,1-2H3,(H,22,27)