1-(2-chloroethyl)-3-(3,4-dihydro-2H-thiochromen-4-yl)-1-nitroso-urea

Systemtic Name: 1-(2-chloroethyl)-3-(3,4-dihydro-2H-thiochromen-4-yl)-1-nitroso-urea Openeye Name: 1-(2-chloroethyl)-1-nitroso-3-thiochroman-4-yl-urea CAS Name: 1-(2-chloroethyl)-3-(3,4-dihydro-2H-1-benzothiopyran-4-yl)-1-nitrosourea IUPAC Name: 1-(2-chloroethyl)-3-(3,4-dihydro-2H-thiochromen-4-yl)-1-nitrosourea Traditional Name: 1-(2-chloroethyl)-1-nitroso-3-thiochroman-4-yl-urea Formula: C12H14ClN3O2S MolecularWeight: 299.77646

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Descriptors Computed from Structure

Canonical SMILES:

C1CSC2=CC=CC=C2C1NC(=O)N(CCCl)N=O

Isomeric SMILES

C1CSC2=CC=CC=C2C1NC(=O)N(CCCl)N=O

InChI

InChI=1S/C12H14ClN3O2S/c13-6-7-16(15-18)12(17)14-10-5-8-19-11-4-2-1-3-9(10)11/h1-4,10H,5-8H2,(H,14,17)