1-(2-chloranyl-5-nitro-phenyl)-3-[(4S)-3,4-dihydro-2H-thiochromen-4-yl]thiourea

Systemtic Name: 1-(2-chloranyl-5-nitro-phenyl)-3-[(4S)-3,4-dihydro-2H-thiochromen-4-yl]thiourea Openeye Name: 1-(2-chloro-5-nitro-phenyl)-3-[(4S)-thiochroman-4-yl]thiourea CAS Name: 1-(2-chloro-5-nitrophenyl)-3-[(4S)-3,4-dihydro-2H-1-benzothiopyran-4-yl]thiourea IUPAC Name: 1-(2-chloro-5-nitrophenyl)-3-[(4S)-3,4-dihydro-2H-thiochromen-4-yl]thiourea Traditional Name: 1-(2-chloro-5-nitro-phenyl)-3-[(4S)-thiochroman-4-yl]thiourea Formula: C16H14ClN3O2S2 MolecularWeight: 379.88426

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Descriptors Computed from Structure

Canonical SMILES:

C1CSC2=CC=CC=C2C1NC(=S)NC3=C(C=CC(=C3)[N+](=O)[O-])Cl

Isomeric SMILES

C1CSC2=CC=CC=C2[C@H]1NC(=S)NC3=C(C=CC(=C3)[N+](=O)[O-])Cl

InChI

InChI=1S/C16H14ClN3O2S2/c17-12-6-5-10(20(21)22)9-14(12)19-16(23)18-13-7-8-24-15-4-2-1-3-11(13)15/h1-6,9,13H,7-8H2,(H2,18,19,23)/t13-/m0/s1