3-[(4-azanyl-1,2,4-triazol-3-yl)sulfanyl]-3-(4-nitrophenyl)-1-phenyl-propan-1-one

Systemtic Name: 3-[(4-azanyl-1,2,4-triazol-3-yl)sulfanyl]-3-(4-nitrophenyl)-1-phenyl-propan-1-one Openeye Name: 3-[(4-amino-1,2,4-triazol-3-yl)sulfanyl]-3-(4-nitrophenyl)-1-phenyl-propan-1-one CAS Name: 3-[(4-amino-1,2,4-triazol-3-yl)thio]-3-(4-nitrophenyl)-1-phenyl-1-propanone IUPAC Name: 3-[(4-amino-1,2,4-triazol-3-yl)sulfanyl]-3-(4-nitrophenyl)-1-phenylpropan-1-one Traditional Name: 3-[(4-amino-1,2,4-triazol-3-yl)thio]-3-(4-nitrophenyl)-1-phenyl-propan-1-one Formula: C17H15N5O3S MolecularWeight: 369.3977

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C(=O)CC(C2=CC=C(C=C2)[N+](=O)[O-])SC3=NN=CN3N

Isomeric SMILES

C1=CC=C(C=C1)C(=O)CC(C2=CC=C(C=C2)[N+](=O)[O-])SC3=NN=CN3N

InChI

InChI=1S/C17H15N5O3S/c18-21-11-19-20-17(21)26-16(10-15(23)12-4-2-1-3-5-12)13-6-8-14(9-7-13)22(24)25/h1-9,11,16H,10,18H2