4-(3-prop-2-ynoxyphenyl)-2,4-dihydro-1H-pyrazolo[3,4-e][1,4]thiazepin-7-one

Systemtic Name: 4-(3-prop-2-ynoxyphenyl)-2,4-dihydro-1H-pyrazolo[3,4-e][1,4]thiazepin-7-one Openeye Name: 4-(3-prop-2-ynoxyphenyl)-2,4-dihydro-1H-pyrazolo[3,4-e][1,4]thiazepin-7-one CAS Name: 4-(3-prop-2-ynoxyphenyl)-2,4-dihydro-1H-pyrazolo[3,4-e][1,4]thiazepin-7-one IUPAC Name: 4-(3-prop-2-ynoxyphenyl)-2,4-dihydro-1H-pyrazolo[3,4-e][1,4]thiazepin-7-one Traditional Name: 4-(3-propargyloxyphenyl)-2,4-dihydro-1H-pyrazolo[3,4-e][1,4]thiazepin-7-one Formula: C15H13N3O2S MolecularWeight: 299.34762

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Descriptors Computed from Structure

Canonical SMILES:

C#CCOC1=CC=CC(=C1)C2C3=CNNC3=NC(=O)CS2

Isomeric SMILES

C#CCOC1=CC=CC(=C1)C2C3=CNNC3=NC(=O)CS2

InChI

InChI=1S/C15H13N3O2S/c1-2-6-20-11-5-3-4-10(7-11)14-12-8-16-18-15(12)17-13(19)9-21-14/h1,3-5,7-8,14H,6,9H2,(H2,16,17,18,19)