N-but-3-yn-2-yl-5-methyl-7-methylsulfanyl-3H-1,4-benzodiazepin-2-amine

Systemtic Name: N-but-3-yn-2-yl-5-methyl-7-methylsulfanyl-3H-1,4-benzodiazepin-2-amine Openeye Name: 5-methyl-N-(1-methylprop-2-ynyl)-7-methylsulfanyl-3H-1,4-benzodiazepin-2-amine CAS Name: N-but-3-yn-2-yl-5-methyl-7-(methylthio)-3H-1,4-benzodiazepin-2-amine IUPAC Name: N-but-3-yn-2-yl-5-methyl-7-methylsulfanyl-3H-1,4-benzodiazepin-2-amine Traditional Name: [5-methyl-7-(methylthio)-3H-1,4-benzodiazepin-2-yl]-(1-methylprop-2-ynyl)amine Formula: C15H17N3S MolecularWeight: 271.38058

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NCC(=NC2=C1C=C(C=C2)SC)NC(C)C#C

Isomeric SMILES

CC1=NCC(=NC2=C1C=C(C=C2)SC)NC(C)C#C

InChI

InChI=1S/C15H17N3S/c1-5-10(2)17-15-9-16-11(3)13-8-12(19-4)6-7-14(13)18-15/h1,6-8,10H,9H2,2-4H3,(H,17,18)