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

Systemtic Name: 4-methyl-5-[2-[(5-methyl-4-prop-2-enyl-1,2,4-triazol-3-yl)sulfanyl]ethanoyl]-3,4-dihydro-1H-1,5-benzodiazepin-2-one Openeye Name: 5-[2-[(4-allyl-5-methyl-1,2,4-triazol-3-yl)sulfanyl]acetyl]-4-methyl-3,4-dihydro-1H-1,5-benzodiazepin-2-one CAS Name: 4-methyl-5-[2-[(5-methyl-4-prop-2-enyl-1,2,4-triazol-3-yl)thio]-1-oxoethyl]-3,4-dihydro-1H-1,5-benzodiazepin-2-one IUPAC Name: 4-methyl-5-[2-[(5-methyl-4-prop-2-enyl-1,2,4-triazol-3-yl)sulfanyl]acetyl]-3,4-dihydro-1H-1,5-benzodiazepin-2-one Traditional Name: 5-[2-[(4-allyl-5-methyl-1,2,4-triazol-3-yl)thio]acetyl]-4-methyl-3,4-dihydro-1H-1,5-benzodiazepin-2-one Formula: C18H21N5O2S MolecularWeight: 371.45664

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Descriptors Computed from Structure

Canonical SMILES:

CC1CC(=O)NC2=CC=CC=C2N1C(=O)CSC3=NN=C(N3CC=C)C

Isomeric SMILES

CC1CC(=O)NC2=CC=CC=C2N1C(=O)CSC3=NN=C(N3CC=C)C

InChI

InChI=1S/C18H21N5O2S/c1-4-9-22-13(3)20-21-18(22)26-11-17(25)23-12(2)10-16(24)19-14-7-5-6-8-15(14)23/h4-8,12H,1,9-11H2,2-3H3,(H,19,24)