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

Systemtic Name: 3-[(4-azanyl-3H-1,2,4-triazol-2-yl)sulfanyl]-3-(4-nitrophenyl)-1-phenyl-propan-1-one Openeye Name: 3-[(4-amino-3H-1,2,4-triazol-2-yl)sulfanyl]-3-(4-nitrophenyl)-1-phenyl-propan-1-one CAS Name: 3-[(4-amino-3H-1,2,4-triazol-2-yl)thio]-3-(4-nitrophenyl)-1-phenyl-1-propanone IUPAC Name: 3-[(4-amino-3H-1,2,4-triazol-2-yl)sulfanyl]-3-(4-nitrophenyl)-1-phenylpropan-1-one Traditional Name: 3-[(4-amino-3H-1,2,4-triazol-2-yl)thio]-3-(4-nitrophenyl)-1-phenyl-propan-1-one Formula: C17H17N5O3S MolecularWeight: 371.41358

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Descriptors Computed from Structure

Canonical SMILES:

C1N(C=NN1SC(CC(=O)C2=CC=CC=C2)C3=CC=C(C=C3)[N+](=O)[O-])N

Isomeric SMILES

C1N(C=NN1SC(CC(=O)C2=CC=CC=C2)C3=CC=C(C=C3)[N+](=O)[O-])N

InChI

InChI=1S/C17H17N5O3S/c18-20-11-19-21(12-20)26-17(10-16(23)13-4-2-1-3-5-13)14-6-8-15(9-7-14)22(24)25/h1-9,11,17H,10,12,18H2