1,5-dimethyl-2-phenyl-4-[[4-(thietan-3-yloxy)phenyl]methylideneamino]pyrazol-3-one

Systemtic Name: 1,5-dimethyl-2-phenyl-4-[[4-(thietan-3-yloxy)phenyl]methylideneamino]pyrazol-3-one Openeye Name: 1,5-dimethyl-2-phenyl-4-[[4-(thietan-3-yloxy)phenyl]methyleneamino]pyrazol-3-one CAS Name: 1,5-dimethyl-2-phenyl-4-[[4-(3-thietanyloxy)phenyl]methylideneamino]-3-pyrazolone IUPAC Name: 1,5-dimethyl-2-phenyl-4-[[4-(thietan-3-yloxy)phenyl]methylideneamino]pyrazol-3-one Traditional Name: 1,5-dimethyl-2-phenyl-4-[[4-(thietan-3-yloxy)benzylidene]amino]-3-pyrazolin-3-one Formula: C21H21N3O2S MolecularWeight: 379.47534

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)N(N1C)C2=CC=CC=C2)N=CC3=CC=C(C=C3)OC4CSC4

Isomeric SMILES

CC1=C(C(=O)N(N1C)C2=CC=CC=C2)N=CC3=CC=C(C=C3)OC4CSC4

InChI

InChI=1S/C21H21N3O2S/c1-15-20(21(25)24(23(15)2)17-6-4-3-5-7-17)22-12-16-8-10-18(11-9-16)26-19-13-27-14-19/h3-12,19H,13-14H2,1-2H3