2-[(4-azanyl-5-methylsulfanyl-1,2,4-triazol-3-yl)sulfanyl]-N-[3-(azepan-1-ylsulfonyl)-4-methyl-phenyl]ethanamide

Systemtic Name: 2-[(4-azanyl-5-methylsulfanyl-1,2,4-triazol-3-yl)sulfanyl]-N-[3-(azepan-1-ylsulfonyl)-4-methyl-phenyl]ethanamide Openeye Name: 2-[(4-amino-5-methylsulfanyl-1,2,4-triazol-3-yl)sulfanyl]-N-[3-(azepan-1-ylsulfonyl)-4-methyl-phenyl]acetamide CAS Name: 2-[[4-amino-5-(methylthio)-1,2,4-triazol-3-yl]thio]-N-[3-(1-azepanylsulfonyl)-4-methylphenyl]acetamide IUPAC Name: 2-[(4-amino-5-methylsulfanyl-1,2,4-triazol-3-yl)sulfanyl]-N-[3-(azepan-1-ylsulfonyl)-4-methylphenyl]acetamide Traditional Name: 2-[[4-amino-5-(methylthio)-1,2,4-triazol-3-yl]thio]-N-[3-(azepan-1-ylsulfonyl)-4-methyl-phenyl]acetamide Formula: C18H26N6O3S3 MolecularWeight: 470.63244

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)NC(=O)CSC2=NN=C(N2N)SC)S(=O)(=O)N3CCCCCC3

Isomeric SMILES

CC1=C(C=C(C=C1)NC(=O)CSC2=NN=C(N2N)SC)S(=O)(=O)N3CCCCCC3

InChI

InChI=1S/C18H26N6O3S3/c1-13-7-8-14(11-15(13)30(26,27)23-9-5-3-4-6-10-23)20-16(25)12-29-18-22-21-17(28-2)24(18)19/h7-8,11H,3-6,9-10,12,19H2,1-2H3,(H,20,25)