1-ethyl-4-(3-methoxyphenyl)-3-methyl-2,4-dihydropyrazolo[3,4-e][1,4]thiazepin-7-one

Systemtic Name: 1-ethyl-4-(3-methoxyphenyl)-3-methyl-2,4-dihydropyrazolo[3,4-e][1,4]thiazepin-7-one Openeye Name: 1-ethyl-4-(3-methoxyphenyl)-3-methyl-2,4-dihydropyrazolo[3,4-e][1,4]thiazepin-7-one CAS Name: 1-ethyl-4-(3-methoxyphenyl)-3-methyl-2,4-dihydropyrazolo[3,4-e][1,4]thiazepin-7-one IUPAC Name: 1-ethyl-4-(3-methoxyphenyl)-3-methyl-2,4-dihydropyrazolo[3,4-e][1,4]thiazepin-7-one Traditional Name: 1-ethyl-4-(3-methoxyphenyl)-3-methyl-2,4-dihydropyrazolo[3,4-e][1,4]thiazepin-7-one Formula: C16H19N3O2S MolecularWeight: 317.40596

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C2=NC(=O)CSC(C2=C(N1)C)C3=CC(=CC=C3)OC

Isomeric SMILES

CCN1C2=NC(=O)CSC(C2=C(N1)C)C3=CC(=CC=C3)OC

InChI

InChI=1S/C16H19N3O2S/c1-4-19-16-14(10(2)18-19)15(22-9-13(20)17-16)11-6-5-7-12(8-11)21-3/h5-8,15,18H,4,9H2,1-3H3