4-(2,3-dihydro-1,4-benzodioxin-3-ylmethylsulfanyl)-2-phenyl-5,6,7,8-tetrahydroquinazoline

Systemtic Name: 4-(2,3-dihydro-1,4-benzodioxin-3-ylmethylsulfanyl)-2-phenyl-5,6,7,8-tetrahydroquinazoline Openeye Name: 4-(2,3-dihydro-1,4-benzodioxin-3-ylmethylsulfanyl)-2-phenyl-5,6,7,8-tetrahydroquinazoline CAS Name: 4-(2,3-dihydro-1,4-benzodioxin-3-ylmethylthio)-2-phenyl-5,6,7,8-tetrahydroquinazoline IUPAC Name: 4-(2,3-dihydro-1,4-benzodioxin-3-ylmethylsulfanyl)-2-phenyl-5,6,7,8-tetrahydroquinazoline Traditional Name: 4-(2,3-dihydro-1,4-benzodioxin-3-ylmethylthio)-2-phenyl-5,6,7,8-tetrahydroquinazoline Formula: C23H22N2O2S MolecularWeight: 390.49798

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC2=C(C1)C(=NC(=N2)C3=CC=CC=C3)SCC4COC5=CC=CC=C5O4

Isomeric SMILES

C1CCC2=C(C1)C(=NC(=N2)C3=CC=CC=C3)SCC4COC5=CC=CC=C5O4

InChI

InChI=1S/C23H22N2O2S/c1-2-8-16(9-3-1)22-24-19-11-5-4-10-18(19)23(25-22)28-15-17-14-26-20-12-6-7-13-21(20)27-17/h1-3,6-9,12-13,17H,4-5,10-11,14-15H2