2-(phenylmethyl)-5-[(2,4,6-trinitrophenyl)amino]-1,2,4-thiadiazol-3-one

Systemtic Name: 2-(phenylmethyl)-5-[(2,4,6-trinitrophenyl)amino]-1,2,4-thiadiazol-3-one Openeye Name: 2-benzyl-5-(2,4,6-trinitroanilino)-1,2,4-thiadiazol-3-one CAS Name: 2-(phenylmethyl)-5-(2,4,6-trinitroanilino)-1,2,4-thiadiazol-3-one IUPAC Name: 2-benzyl-5-(2,4,6-trinitroanilino)-1,2,4-thiadiazol-3-one Traditional Name: 2-benzyl-5-(2,4,6-trinitroanilino)-1,2,4-thiadiazol-3-one Formula: C15H10N6O7S MolecularWeight: 418.3409

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CN2C(=O)N=C(S2)NC3=C(C=C(C=C3[N+](=O)[O-])[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

C1=CC=C(C=C1)CN2C(=O)N=C(S2)NC3=C(C=C(C=C3[N+](=O)[O-])[N+](=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C15H10N6O7S/c22-15-17-14(29-18(15)8-9-4-2-1-3-5-9)16-13-11(20(25)26)6-10(19(23)24)7-12(13)21(27)28/h1-7H,8H2,(H,16,17,22)