4-(1,3-benzothiazol-2-yl)-N3-(4-methylphenyl)-4,5-dihydro-1,2-oxazole-3,5-diamine

Systemtic Name: 4-(1,3-benzothiazol-2-yl)-N3-(4-methylphenyl)-4,5-dihydro-1,2-oxazole-3,5-diamine Openeye Name: 4-(1,3-benzothiazol-2-yl)-N3-(p-tolyl)-4,5-dihydroisoxazole-3,5-diamine CAS Name: 4-(1,3-benzothiazol-2-yl)-N3-(4-methylphenyl)-4,5-dihydroisoxazole-3,5-diamine IUPAC Name: 4-(1,3-benzothiazol-2-yl)-3-N-(4-methylphenyl)-4,5-dihydro-1,2-oxazole-3,5-diamine Traditional Name: [5-amino-4-(1,3-benzothiazol-2-yl)-2-isoxazolin-3-yl]-(p-tolyl)amine Formula: C17H16N4OS MolecularWeight: 324.40014

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)NC2=NOC(C2C3=NC4=CC=CC=C4S3)N

Isomeric SMILES

CC1=CC=C(C=C1)NC2=NOC(C2C3=NC4=CC=CC=C4S3)N

InChI

InChI=1S/C17H16N4OS/c1-10-6-8-11(9-7-10)19-16-14(15(18)22-21-16)17-20-12-4-2-3-5-13(12)23-17/h2-9,14-15H,18H2,1H3,(H,19,21)