3-methyl-1-phenyl-4-thiophen-3-yl-2,4-dihydropyrazolo[3,4-e][1,4]thiazepin-7-one

Systemtic Name: 3-methyl-1-phenyl-4-thiophen-3-yl-2,4-dihydropyrazolo[3,4-e][1,4]thiazepin-7-one Openeye Name: 3-methyl-1-phenyl-4-(3-thienyl)-2,4-dihydropyrazolo[3,4-e][1,4]thiazepin-7-one CAS Name: 3-methyl-1-phenyl-4-(3-thiophenyl)-2,4-dihydropyrazolo[3,4-e][1,4]thiazepin-7-one IUPAC Name: 3-methyl-1-phenyl-4-thiophen-3-yl-2,4-dihydropyrazolo[3,4-e][1,4]thiazepin-7-one Traditional Name: 3-methyl-1-phenyl-4-(3-thienyl)-2,4-dihydropyrazolo[3,4-e][1,4]thiazepin-7-one Formula: C17H15N3OS2 MolecularWeight: 341.4505

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C2C(SCC(=O)N=C2N(N1)C3=CC=CC=C3)C4=CSC=C4

Isomeric SMILES

CC1=C2C(SCC(=O)N=C2N(N1)C3=CC=CC=C3)C4=CSC=C4

InChI

InChI=1S/C17H15N3OS2/c1-11-15-16(12-7-8-22-9-12)23-10-14(21)18-17(15)20(19-11)13-5-3-2-4-6-13/h2-9,16,19H,10H2,1H3