3-(5-nitrothiophen-2-yl)sulfanyl-4-(phenylmethyl)-1H-1,2,4-triazol-5-one

Systemtic Name: 3-(5-nitrothiophen-2-yl)sulfanyl-4-(phenylmethyl)-1H-1,2,4-triazol-5-one Openeye Name: 4-benzyl-3-[(5-nitro-2-thienyl)sulfanyl]-1H-1,2,4-triazol-5-one CAS Name: 3-[(5-nitro-2-thiophenyl)thio]-4-(phenylmethyl)-1H-1,2,4-triazol-5-one IUPAC Name: 4-benzyl-3-(5-nitrothiophen-2-yl)sulfanyl-1H-1,2,4-triazol-5-one Traditional Name: 4-benzyl-3-[(5-nitro-2-thienyl)thio]-1H-1,2,4-triazol-5-one Formula: C13H10N4O3S2 MolecularWeight: 334.3735

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H10N4O3S2/c18-12-14-15-13(16(12)8-9-4-2-1-3-5-9)22-11-7-6-10(21-11)17(19)20/h1-7H,8H2,(H,14,18)