N-[(5-methylthiophen-2-yl)methyl]-3-nitro-N-phenethyl-4-(1,2,4-triazol-1-yl)benzamide

Systemtic Name: N-[(5-methylthiophen-2-yl)methyl]-3-nitro-N-phenethyl-4-(1,2,4-triazol-1-yl)benzamide Openeye Name: N-[(5-methyl-2-thienyl)methyl]-3-nitro-N-phenethyl-4-(1,2,4-triazol-1-yl)benzamide CAS Name: N-[(5-methyl-2-thiophenyl)methyl]-3-nitro-N-phenethyl-4-(1,2,4-triazol-1-yl)benzamide IUPAC Name: N-[(5-methylthiophen-2-yl)methyl]-3-nitro-N-phenethyl-4-(1,2,4-triazol-1-yl)benzamide Traditional Name: N-[(5-methyl-2-thienyl)methyl]-3-nitro-N-phenethyl-4-(1,2,4-triazol-1-yl)benzamide Formula: C23H21N5O3S MolecularWeight: 447.50954

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(S1)CN(CCC2=CC=CC=C2)C(=O)C3=CC(=C(C=C3)N4C=NC=N4)[N+](=O)[O-]

Isomeric SMILES

CC1=CC=C(S1)CN(CCC2=CC=CC=C2)C(=O)C3=CC(=C(C=C3)N4C=NC=N4)[N+](=O)[O-]

InChI

InChI=1S/C23H21N5O3S/c1-17-7-9-20(32-17)14-26(12-11-18-5-3-2-4-6-18)23(29)19-8-10-21(22(13-19)28(30)31)27-16-24-15-25-27/h2-10,13,15-16H,11-12,14H2,1H3