2-[[4-azanyl-5-(naphthalen-1-ylmethyl)-1,2,4-triazol-3-yl]sulfanyl]-N-(2-nitrophenyl)ethanamide

Systemtic Name: 2-[[4-azanyl-5-(naphthalen-1-ylmethyl)-1,2,4-triazol-3-yl]sulfanyl]-N-(2-nitrophenyl)ethanamide Openeye Name: 2-[[4-amino-5-(1-naphthylmethyl)-1,2,4-triazol-3-yl]sulfanyl]-N-(2-nitrophenyl)acetamide CAS Name: 2-[[4-amino-5-(1-naphthalenylmethyl)-1,2,4-triazol-3-yl]thio]-N-(2-nitrophenyl)acetamide IUPAC Name: 2-[[4-amino-5-(naphthalen-1-ylmethyl)-1,2,4-triazol-3-yl]sulfanyl]-N-(2-nitrophenyl)acetamide Traditional Name: 2-[[4-amino-5-(1-naphthylmethyl)-1,2,4-triazol-3-yl]thio]-N-(2-nitrophenyl)acetamide Formula: C21H18N6O3S MolecularWeight: 434.47102

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C=CC=C2CC3=NN=C(N3N)SCC(=O)NC4=CC=CC=C4[N+](=O)[O-]

Isomeric SMILES

C1=CC=C2C(=C1)C=CC=C2CC3=NN=C(N3N)SCC(=O)NC4=CC=CC=C4[N+](=O)[O-]

InChI

InChI=1S/C21H18N6O3S/c22-26-19(12-15-8-5-7-14-6-1-2-9-16(14)15)24-25-21(26)31-13-20(28)23-17-10-3-4-11-18(17)27(29)30/h1-11H,12-13,22H2,(H,23,28)