1-(6-chloranyl-3,4-dihydro-2H-thiochromen-4-yl)-3-(pyridin-3-ylmethyl)urea

Systemtic Name: 1-(6-chloranyl-3,4-dihydro-2H-thiochromen-4-yl)-3-(pyridin-3-ylmethyl)urea Openeye Name: 1-(6-chlorothiochroman-4-yl)-3-(3-pyridylmethyl)urea CAS Name: 1-(6-chloro-3,4-dihydro-2H-1-benzothiopyran-4-yl)-3-(3-pyridinylmethyl)urea IUPAC Name: 1-(6-chloro-3,4-dihydro-2H-thiochromen-4-yl)-3-(pyridin-3-ylmethyl)urea Traditional Name: 1-(6-chlorothiochroman-4-yl)-3-(3-pyridylmethyl)urea Formula: C16H16ClN3OS MolecularWeight: 333.83574

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Descriptors Computed from Structure

Canonical SMILES:

C1CSC2=C(C1NC(=O)NCC3=CN=CC=C3)C=C(C=C2)Cl

Isomeric SMILES

C1CSC2=C(C1NC(=O)NCC3=CN=CC=C3)C=C(C=C2)Cl

InChI

InChI=1S/C16H16ClN3OS/c17-12-3-4-15-13(8-12)14(5-7-22-15)20-16(21)19-10-11-2-1-6-18-9-11/h1-4,6,8-9,14H,5,7,10H2,(H2,19,20,21)