3-ethyl-1-(1-oxidanylidenethian-4-yl)-7-phenyl-5,6-dihydropyrazolo[3,4-e][1,4]diazepin-4-one

Systemtic Name: 3-ethyl-1-(1-oxidanylidenethian-4-yl)-7-phenyl-5,6-dihydropyrazolo[3,4-e][1,4]diazepin-4-one Openeye Name: 3-ethyl-1-(1-oxothian-4-yl)-7-phenyl-5,6-dihydropyrazolo[3,4-e][1,4]diazepin-4-one CAS Name: 3-ethyl-1-(1-oxo-4-thianyl)-7-phenyl-5,6-dihydropyrazolo[3,4-e][1,4]diazepin-4-one IUPAC Name: 3-ethyl-1-(1-oxothian-4-yl)-7-phenyl-5,6-dihydropyrazolo[3,4-e][1,4]diazepin-4-one Traditional Name: 3-ethyl-1-(1-ketothian-4-yl)-7-phenyl-5,6-dihydropyrazolo[3,4-e][1,4]diazepin-4-one Formula: C19H22N4O2S MolecularWeight: 370.46858

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=NN(C2=C1C(=O)NCC(=N2)C3=CC=CC=C3)C4CCS(=O)CC4

Isomeric SMILES

CCC1=NN(C2=C1C(=O)NCC(=N2)C3=CC=CC=C3)C4CCS(=O)CC4

InChI

InChI=1S/C19H22N4O2S/c1-2-15-17-18(23(22-15)14-8-10-26(25)11-9-14)21-16(12-20-19(17)24)13-6-4-3-5-7-13/h3-7,14H,2,8-12H2,1H3,(H,20,24)