4-(1,3-benzodioxol-5-yl)-3-methyl-1-phenyl-2,4-dihydropyrazolo[3,4-e][1,4]thiazepin-7-one

Systemtic Name: 4-(1,3-benzodioxol-5-yl)-3-methyl-1-phenyl-2,4-dihydropyrazolo[3,4-e][1,4]thiazepin-7-one Openeye Name: 4-(1,3-benzodioxol-5-yl)-3-methyl-1-phenyl-2,4-dihydropyrazolo[3,4-e][1,4]thiazepin-7-one CAS Name: 4-(1,3-benzodioxol-5-yl)-3-methyl-1-phenyl-2,4-dihydropyrazolo[3,4-e][1,4]thiazepin-7-one IUPAC Name: 4-(1,3-benzodioxol-5-yl)-3-methyl-1-phenyl-2,4-dihydropyrazolo[3,4-e][1,4]thiazepin-7-one Traditional Name: 4-(1,3-benzodioxol-5-yl)-3-methyl-1-phenyl-2,4-dihydropyrazolo[3,4-e][1,4]thiazepin-7-one Formula: C20H17N3O3S MolecularWeight: 379.43228

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C2C(SCC(=O)N=C2N(N1)C3=CC=CC=C3)C4=CC5=C(C=C4)OCO5

Isomeric SMILES

CC1=C2C(SCC(=O)N=C2N(N1)C3=CC=CC=C3)C4=CC5=C(C=C4)OCO5

InChI

InChI=1S/C20H17N3O3S/c1-12-18-19(13-7-8-15-16(9-13)26-11-25-15)27-10-17(24)21-20(18)23(22-12)14-5-3-2-4-6-14/h2-9,19,22H,10-11H2,1H3