(3,4-dimethyl-2-sulfanylidene-1,3-thiazol-5-yl)-[3-(phenylmethylsulfanyl)-1,2-diazirin-1-yl]methanone

Systemtic Name: (3,4-dimethyl-2-sulfanylidene-1,3-thiazol-5-yl)-[3-(phenylmethylsulfanyl)-1,2-diazirin-1-yl]methanone Openeye Name: (3-benzylsulfanyldiazirin-1-yl)-(3,4-dimethyl-2-thioxo-thiazol-5-yl)methanone CAS Name: (3,4-dimethyl-2-sulfanylidene-5-thiazolyl)-[3-(phenylmethylthio)-1-diazirinyl]methanone IUPAC Name: (3-benzylsulfanyldiazirin-1-yl)-(3,4-dimethyl-2-sulfanylidene-1,3-thiazol-5-yl)methanone Traditional Name: [3-(benzylthio)diazirin-1-yl]-(3,4-dimethyl-2-thioxo-4-thiazolin-5-yl)methanone Formula: C14H13N3OS3 MolecularWeight: 335.46752

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC(=S)N1C)C(=O)N2C(=N2)SCC3=CC=CC=C3

Isomeric SMILES

CC1=C(SC(=S)N1C)C(=O)N2C(=N2)SCC3=CC=CC=C3

InChI

InChI=1S/C14H13N3OS3/c1-9-11(21-14(19)16(9)2)12(18)17-13(15-17)20-8-10-6-4-3-5-7-10/h3-7H,8H2,1-2H3