3-[(5-nitro-1,3-thiazol-2-yl)sulfanyl]-4-(phenylmethyl)-1H-1,2,4-triazol-5-one

Systemtic Name: 3-[(5-nitro-1,3-thiazol-2-yl)sulfanyl]-4-(phenylmethyl)-1H-1,2,4-triazol-5-one Openeye Name: 4-benzyl-3-(5-nitrothiazol-2-yl)sulfanyl-1H-1,2,4-triazol-5-one CAS Name: 3-[(5-nitro-2-thiazolyl)thio]-4-(phenylmethyl)-1H-1,2,4-triazol-5-one IUPAC Name: 4-benzyl-3-[(5-nitro-1,3-thiazol-2-yl)sulfanyl]-1H-1,2,4-triazol-5-one Traditional Name: 4-benzyl-3-[(5-nitrothiazol-2-yl)thio]-1H-1,2,4-triazol-5-one Formula: C12H9N5O3S2 MolecularWeight: 335.36156

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CN2C(=O)NN=C2SC3=NC=C(S3)[N+](=O)[O-]

Isomeric SMILES

C1=CC=C(C=C1)CN2C(=O)NN=C2SC3=NC=C(S3)[N+](=O)[O-]

InChI

InChI=1S/C12H9N5O3S2/c18-10-14-15-11(16(10)7-8-4-2-1-3-5-8)22-12-13-6-9(21-12)17(19)20/h1-6H,7H2,(H,14,18)